[[(2r,3s,5r)-5-[2-(4-butylanilino)-6-oxo-1h-purin-9-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate (CHEM320147)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-08-30 01:18:18 UTC | ||||||||
| Update Date | 2026-08-30 01:18:18 UTC | ||||||||
| Accession Number | CHEM320147 | ||||||||
| Identification | |||||||||
| Common Name | [[(2r,3s,5r)-5-[2-(4-butylanilino)-6-oxo-1h-purin-9-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C20H28N5O13P3 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 639.090 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | [[(2r,3s,5r)-5-[2-(4-butylanilino)-6-oxo-1h-purin-9-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCCCC1=CC=C(C=C1)NC2=NC3=C(C(=O)N2)N=CN3C4CC(C(O4)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O | ||||||||
| InChI Identifier | InChI=1S/C20H28N5O13P3/c1-2-3-4-12-5-7-13(8-6-12)22-20-23-18-17(19(27)24-20)21-11-25(18)16-9-14(26)15(36-16)10-35-40(31,32)38-41(33,34)37-39(28,29)30/h5-8,11,14-16,26H,2-4,9-10H2,1H3,(H,31,32)(H,33,34)(H2,28,29,30)(H2,22,23,24,27)/t14-,15+,16+/m0/s1 | ||||||||
| InChI Key | JLKDXNDMDDENMB-ARFHVFGLSA-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 | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
