Basic information
- CAS
133201-21-5- Standard SMILES
CCCCCCOP(=O)(N[C@H](C(=O)OC)C(C)C)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1N=[N+]=[N-]- InChIKey
BUAHPDZFMFELFS-URGFSGEDSA-N- Molecular formula
- C22H37N6O8P
- Average molar mass
- 544.5 g/mol
- Monoisotopic mass
- 544.24104916
Names & identifiers
- Preferred name
- 5'MeOValPO3(hexyl) AZT
- IUPAC
- methyl (2S)-2-[[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hexoxyphosphoryl]amino]-3-methylbutanoate
Names & synonyms
5'MeOValPO3(hexyl) AZT133201-21-53'-Azido-3'-deoxythymidine-5'-(hexyl methoxyvalinyl)phosphateL-Valine, N-(3'-azido-3'-deoxy-P-hexyl-5'-thymidylyl)-, methyl ester, (R)-methyl (2S)-2-[[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-hexoxy-phosphoryl]amino]-3-methyl-butanoate
Database identifiers
- CAS
133201-21-5- PubChem CID
- 452579
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 16
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 953
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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