Triphosphate(5-) (CHEM035520)

IdentificationTaxonomyBiological PropertiesPhysical PropertiesToxicity ProfileSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-05-26 05:50:40 UTC
Update Date2016-11-09 01:21:19 UTC
Accession NumberCHEM035520
Identification
Common NameTriphosphate(5-)
ClassSmall Molecule
DescriptionUsed as water softener, peptizing agent, emulsifier & dispersing agent; ingredient of cleansers; meat preservative.
Contaminant Sources
  • FooDB Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
Acide triphosphoriqueChEBI
Catena-triphosphoric acidChEBI
H5P3O10ChEBI
Inorganic triphosphateChEBI
TriphosphorsaeureChEBI
Tripolyphosphoric acidChEBI
Catena-triphosphateGenerator
Inorganic triphosphoric acidGenerator
TripolyphosphateGenerator
Triphosphoric acidGenerator
(Phosphate)NHMDB
(Phosphate)n+1HMDB
(Phosphate)N-1HMDB
Bis(dihydroxidodioxidophosphato)hydroxidooxidophosphorusHMDB
Bis(phosphonooxy)phosphinic acidHMDB
DADHMDB
DCTHMDB
DGTHMDB
Diphosphono hydrogen phosphateHMDB
DTPHMDB
GTPHMDB
Inorganic open chain tripolyphosphateHMDB
TriphospateHMDB
Triphosphate analogsHMDB
TTPHMDB
Sodium triphosphateHMDB
Tetrasodium tripolyphosphateHMDB
Triphosphoric acid, 99TC-labeled CPDHMDB
Triphosphoric acid, pentasodium saltHMDB
Triphosphoric acid, sodium saltHMDB
Potassium triphosphateHMDB
Sodium tripolyphosphate anhydrousHMDB
Triphosphoric acid, pentapotassium saltHMDB
Triphosphoric acid, sodium, potassium saltHMDB
Pentapotassium triphosphateHMDB
Sodium tripolyphosphateHMDB
PPPiHMDB
TRIphosphATEChEBI
Chemical FormulaO10P3
Average Molecular Mass252.915 g/mol
Monoisotopic Mass252.870 g/mol
CAS Registry Number14127-68-5
IUPAC Name{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphonic acid
Traditional Nametripolyphosphate
SMILES[O-]P([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O
InChI IdentifierInChI=1S/H5O10P3/c1-11(2,3)9-13(7,8)10-12(4,5)6/h(H,7,8)(H2,1,2,3)(H2,4,5,6)/p-5
InChI KeyUNXRWKVEANCORM-UHFFFAOYSA-I
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as non-metal phosphates. These are inorganic non-metallic compounds containing a phosphate as its largest oxoanion.
KingdomInorganic compounds
Super ClassHomogeneous non-metal compounds
ClassNon-metal oxoanionic compounds
Sub ClassNon-metal phosphates
Direct ParentNon-metal phosphates
Alternative Parents
Substituents
  • Non-metal phosphate
  • Inorganic oxide
Molecular FrameworkNot Available
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
logP-1.9ChemAxon
pKa (Strongest Acidic)0.89ChemAxon
Physiological Charge-4ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area170.82 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity36.4 m³·mol⁻¹ChemAxon
Polarizability14.67 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-0002-9520000000-e90a8c73374acf7bc122Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, PositiveNot AvailableSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0a6r-2690000000-673654046903650b7152Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03fs-5930000000-5eb4974ca8fed7558024Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-01qa-9500000000-b2404c5ea6e713839384Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0a4i-0090000000-7ab59c02dffe21b7a604Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-056r-9270000000-61dc72f8bf5e400f3882Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-9000000000-6a7c993cb33cf4d5feddSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0a4i-0090000000-db0b792e00f5267b0429Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0a6r-4690000000-1c8ad94ae184a8e58b61Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0002-9000000000-9afb7f62828d4245d383Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0a4i-0390000000-05444cfee24772b7b3b2Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0a4i-0900000000-2eca580fe4fd0b82d8a6Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0a4i-0900000000-2e0c12969f0c2680414eSpectrum
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
DrugBank IDDB03896
HMDB IDHMDB0003379
FooDB IDFDB028913
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkPolyphosphate
Chemspider ID958
ChEBI ID39949
PubChem Compound ID983
Kegg Compound IDC02174
YMDB IDYMDB00844
ECMDB IDECMDB03379
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. Tsuhako, Mitsutomo; Sueyoshi, Chiyoko; Miyajima, Tohru; Ohashi, Shigeru; Nariai, Hiroyuki; Motooka, Itaru. The reaction of cyclo-triphosphate with ethanolamines. Bulletin of the Chemical Society of Japan (1986), 59(10), 3091-5.
2. Cseri J, Szappanos H, Szigeti GP, Csernatony Z, Kovacs L, Csernoch L: A purinergic signal transduction pathway in mammalian skeletal muscle cells in culture. Pflugers Arch. 2002 Mar;443(5-6):731-8. Epub 2001 Dec 4.
3. Pelleg A, Schulman ES: Adenosine 5'-triphosphate axis in obstructive airway diseases. Am J Ther. 2002 Sep-Oct;9(5):454-64.
4. Ding Z, Kim S, Dorsam RT, Jin J, Kunapuli SP: Inactivation of the human P2Y12 receptor by thiol reagents requires interaction with both extracellular cysteine residues, Cys17 and Cys270. Blood. 2003 May 15;101(10):3908-14. Epub 2003 Jan 30.
5. Feng YH, Wang L, Wang Q, Li X, Zeng R, Gorodeski GI: ATP stimulates GRK-3 phosphorylation and beta-arrestin-2-dependent internalization of P2X7 receptor. Am J Physiol Cell Physiol. 2005 Jun;288(6):C1342-56. Epub 2005 Feb 23.
6. Smits P, Bijlstra PJ, Russel FG, Lutterman JA, Thien T: Cardiovascular effects of sulphonylurea derivatives. Diabetes Res Clin Pract. 1996 Jul;31 Suppl:S55-9.
7. Sawynok J, Liu XJ: Adenosine in the spinal cord and periphery: release and regulation of pain. Prog Neurobiol. 2003 Apr;69(5):313-40.
8. Gerasimovskaya EV, Ahmad S, White CW, Jones PL, Carpenter TC, Stenmark KR: Extracellular ATP is an autocrine/paracrine regulator of hypoxia-induced adventitial fibroblast growth. Signaling through extracellular signal-regulated kinase-1/2 and the Egr-1 transcription factor. J Biol Chem. 2002 Nov 22;277(47):44638-50. Epub 2002 Sep 18.
9. Burnstock G: Noradrenaline and ATP: cotransmitters and neuromodulators. J Physiol Pharmacol. 1995 Dec;46(4):365-84.
10. Podust VN, Korobeinicheva TO, Nevinskii GA, Rikhter VA, Abramova TI, Lavrik OI: [Template-primer-dependent inactivation of DNA polymerase alpha from human placenta by 2',3'-epoxyadenosine-5'-triphosphate]. Bioorg Khim. 1990 Feb;16(2):226-35.
11. Valdecantos P, Briones R, Moya P, Germain A, Huidobro-Toro JP: Pharmacological identification of P2X1, P2X4 and P2X7 nucleotide receptors in the smooth muscles of human umbilical cord and chorionic blood vessels. Placenta. 2003 Jan;24(1):17-26.
12. Bijlstra PJ, Russel FG, Thien T, Lutterman JA, Smits P: Effects of tolbutamide on vascular ATP-sensitive potassium channels in humans. Comparison with literature data on glibenclamide and glimepiride. Horm Metab Res. 1996 Sep;28(9):512-6.
13. Lavoie EG, Kukulski F, Levesque SA, Lecka J, Sevigny J: Cloning and characterization of mouse nucleoside triphosphate diphosphohydrolase-3. Biochem Pharmacol. 2004 May 15;67(10):1917-26.
14. Banks FC, Knight GE, Calvert RC, Turmaine M, Thompson CS, Mikhailidis DP, Morgan RJ, Burnstock G: Smooth muscle and purinergic contraction of the human, rabbit, rat, and mouse testicular capsule. Biol Reprod. 2006 Mar;74(3):473-80. Epub 2005 Nov 9.