Basic information
- CAS
121032-22-2- Standard SMILES
CCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(OC)ncnc21- InChIKey
RXPBLZGHNSDINK-NJYNRLGGSA-N- Molecular formula
- C16H22N4O6
- Average molar mass
- 366.37 g/mol
- Monoisotopic mass
- 366.15393443
Overview
prodrug of anti-varicell-zoster virus agent 6-methoxypurine arabinoside
Names & identifiers
- Preferred name
- 2'-Valeryl-6-methoxypurine arabinoside
- IUPAC
- [(2R,3S,4R,5R)-4-hydroxy-5-(hydroxymethyl)-2-(6-methoxypurin-9-yl)oxolan-3-yl] pentanoate
- English name
- 2'-valeryl-6-methoxypurine arabinoside
- Molecular formula
- C16H22N4O6
- Molecular weight
- 0
Names & synonyms
2'-Valeryl-6-methoxypurine arabinoside121032-22-2DTXSID901531156-Methoxy-9-((2-O-valeryl)-beta-D-arabinofuranosyl)-9H-purine9H-Purine, 6-methoxy-9-(2-O-(1-oxopentyl)-beta-D-arabinofuranosyl)-RefChem:80439DTXCID5075606170U88SCHEMBL90194666-Methoxy-9-(2-O-pentanoyl-beta-D-arabinofuranosyl)-9H-purineReaxys ID: 4890153
Database identifiers
- CAS
121032-22-2- PubChem CID
- 129338
- DTXSID
DTXSID90153115- Nikkaji
- J442.799H
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 484
Physicochemical properties
- Melting point
- 119 °C · 119°C
- Boiling point
- 497.15 °C · 497.15°C (rough estimate)
- Density
- 1.1992 · 1.1992 (rough estimate)
- refractive index
- 1.65 · 1.6500 (estimate)
- Water Solubility
- 87.93 g/L · 87.93g/L(37 ºC)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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