[[4'-(6-amino-5h-purin-9-ium-9-yl)-1,3,5-trinitrospiro[cyclohexa-1,3-diene-6,2'-furo[3,4-d][1,3]dioxole]-6'-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate (CHEM296299)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-08-28 17:17:04 UTC | ||||||||
| Update Date | 2026-08-28 17:17:04 UTC | ||||||||
| Accession Number | CHEM296299 | ||||||||
| Identification | |||||||||
| Common Name | [[4'-(6-amino-5h-purin-9-ium-9-yl)-1,3,5-trinitrospiro[cyclohexa-1,3-diene-6,2'-furo[3,4-d][1,3]dioxole]-6'-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate | ||||||||
| Class | Small Molecule | ||||||||
| Description | [[4'-(6-amino-5h-purin-9-ium-9-yl)-1,3,5-trinitrospiro[cyclohexa-1,3-diene-6,2'-furo[3,4-d][1,3]dioxole]-6'-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate belongs to the ethers, a subclass of organooxygen compounds within the organic compounds. It has the chemical formula C16H14N8O19P3+. With an average molecular weight of 715.20 g/mol, [[4'-(6-amino-5h-purin-9-ium-9-yl)-1,3,5-trinitrospiro[cyclohexa-1,3-diene-6,2'-furo[3,4-d][1,3]dioxole]-6'-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C16H14N8O19P3+ | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 714.959 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | [[4'-(6-amino-5h-purin-9-ium-9-yl)-1,3,5-trinitrospiro[cyclohexa-1,3-diene-6,2'-furo[3,4-d][1,3]dioxole]-6'-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | C1=C(C=C(C2(C1[N+](=O)[O-])OC3=C(OC(=C3O2)[N+]4=C5C(C(=NC=N5)N)N=C4)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[N+](=O)[O-])[N+](=O)[O-] | ||||||||
| InChI Identifier | InChI=1S/C16H13N8O19P3/c17-13-10-14(19-4-18-13)21(5-20-10)15-12-11(7(39-15)3-38-45(34,35)43-46(36,37)42-44(31,32)33)40-16(41-12)8(23(27)28)1-6(22(25)26)2-9(16)24(29)30/h1-2,4-5,8,10,17H,3H2,(H4,31,32,33,34,35,36,37)/p+1 | ||||||||
| InChI Key | NHXFSKZBEIIARS-UHFFFAOYSA-O | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
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| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
