Vidarabine 5'-valerate
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Basic information
- CAS
65926-31-0- Standard SMILES
CCCCC(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@@H]1O- InChIKey
UTXZRKUAJPWZOZ-UPSWMWPXSA-N- Molecular formula
- C15H21N5O5
- Average molar mass
- 351.36 g/mol
- Monoisotopic mass
- 351.15426879
Overview
prodrug of vidarabine
Names & identifiers
- Preferred name
- Vidarabine 5'-valerate
- IUPAC
- [(2R,3S,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl pentanoate
- English name
- vidarabine 5'-valerate
- Molecular formula
- C15H21N5O5
- Molecular weight
- 351.36
Names & synonyms
Vidarabine 5'-valerate65926-31-0Ara-A-5'-valerateArabinofuranosyladenine 5'-valerate9H-Purin-6-amine, 9-(5-O-(1-oxopentyl)-beta-D-arabinofuranosyl)-RefChem:194228CHEMBL3246452((2R,3S,4S,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl pentanoateSCHEMBL10585105DTXSID00984417[(2R,3S,4S,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl pentanoateBDBM50010137
Show more names
9H-Purin-6-amine, 9-[5-O-(1-oxopentyl)-β-D-arabinofuranosyl]-
9-(5-O-Pentanoylpentofuranosyl)-9H-purin-6-amine9-(5-O-Pentanoyl-beta-D-arabinofuranosyl)-9H-purin-6-aminePentanoic acid 5-(6-amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl ester((2R,3S,4S,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methylpentanoate[(2R,3S,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl pentanoate
Database identifiers
- CAS
65926-31-0- PubChem CID
- 163097
- DTXSID
DTXSID00984417- ChEMBL
CHEMBL3246452
Properties
Computed structural propertiesFilling in
- XLogP
- 0.3
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 470
Physicochemical properties
- Boiling point
- 485.17 °C · 485.17°C (rough estimate)
- Density
- 1.2018 · 1.2018 (rough estimate)
- refractive index
- 1.7 · 1.7000 (estimate)
- pka
- 13 · 13.00±0.70(Predicted)
- Water Solubility
- 8.4 g/L · 8.4g/L(temperature not stated)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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