2-[hydroxy-[(2r,3s,4s)-2,3,4-trihydroxy-5-(2,4,8-trioxo-1h-pyrimido[4,5-b]quinolin-10-yl)pentoxy]phosphoryl]oxyprop-2-enoic acid (CHEM313203)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-29 15:23:44 UTC | ||||||||
| Update Date | 2026-08-29 15:23:44 UTC | ||||||||
| Accession Number | CHEM313203 | ||||||||
| Identification | |||||||||
| Common Name | 2-[hydroxy-[(2r,3s,4s)-2,3,4-trihydroxy-5-(2,4,8-trioxo-1h-pyrimido[4,5-b]quinolin-10-yl)pentoxy]phosphoryl]oxyprop-2-enoic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | 2-[hydroxy-[(2r,3s,4s)-2,3,4-trihydroxy-5-(2,4,8-trioxo-1h-pyrimido[4,5-b]quinolin-10-yl)pentoxy]phosphoryl]oxyprop-2-enoic acid has the chemical formula C19H20N3O12P. With an average molecular weight of 513.30 g/mol, 2-[hydroxy-[(2r,3s,4s)-2,3,4-trihydroxy-5-(2,4,8-trioxo-1h-pyrimido[4,5-b]quinolin-10-yl)pentoxy]phosphoryl]oxyprop-2-enoic acid is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C19H20N3O12P | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 513.078 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 2-[hydroxy-[(2r,3s,4s)-2,3,4-trihydroxy-5-(2,4,8-trioxo-1h-pyrimido[4,5-b]quinolin-10-yl)pentoxy]phosphoryl]oxyprop-2-enoic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | C=C(C(=O)O)OP(=O)(O)OCC(C(C(CN1C2=CC(=O)C=CC2=CC3=C1NC(=O)NC3=O)O)O)O | ||||||||
| InChI Identifier | InChI=1S/C19H20N3O12P/c1-8(18(28)29)34-35(31,32)33-7-14(25)15(26)13(24)6-22-12-5-10(23)3-2-9(12)4-11-16(22)20-19(30)21-17(11)27/h2-5,13-15,24-26H,1,6-7H2,(H,28,29)(H,31,32)(H2,20,21,27,30)/t13-,14+,15-/m0/s1 | ||||||||
| InChI Key | VXQYYXJOSRZXMW-ZNMIVQPWSA-N | ||||||||
| 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 | |||||||||
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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
