Basic information
- CAS
731772-45-5- Standard SMILES
CC(C)OC(=O)OCOP(=O)(CO[C@@H](C)Cn1cnc2c(N)ncnc21)OCOC(=O)OC(C)C.Nc1nc(=O)n([C@@H]2CS[C@H](CO)O2)cc1F.O=C(O)/C=C/C(=O)O- InChIKey
VERWQPYQDXWOGT-CAMPLHDKSA-N- Molecular formula
- C31H44FN8O17PS
- Average molar mass
- 882.8 g/mol
- Monoisotopic mass
- 882.2266783
Names & identifiers
- Preferred name
- 4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one;[[(2S)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;(E)-but-2-enedioic acid
- IUPAC
- 4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one;[[(2S)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;(E)-but-2-enedioic acid
Names & synonyms
DTXSID30223427
Database identifiers
- CAS
731772-45-5- PubChem CID
- 5282497
- DTXSID
DTXSID30223427
Properties
Computed structural properties
- Topological polar surface area
- 373 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 23
- Rotatable bonds
- 21
- Heavy atoms
- 59
- Formal charge
- 0
- Complexity
- 1,190
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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