3'-Azido-3'-deoxythymidine-5'-(ethyl methoxyvalinyl)phosphate
Basic information
- CAS
133201-14-6- Standard SMILES
CCOP(=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
GGZPMMRIYIRBDM-RXJKDQPTSA-N- Molecular formula
- C18H29N6O8P
- Average molar mass
- 488.4 g/mol
- Monoisotopic mass
- 488.1784489
Names & identifiers
- Preferred name
- 3'-Azido-3'-deoxythymidine-5'-(ethyl methoxyvalinyl)phosphate
- IUPAC
- methyl (2S)-2-[[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-ethoxyphosphoryl]amino]-3-methylbutanoate
Names & synonyms
5'-MeValPO3(Et) AZT133201-14-63'-Azido-3'-deoxythymidine-5'-(ethyl methoxyvalinyl)phosphateL-Valine, N-(3'-azido-3'-deoxy-P-ethyl-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-ethoxy-phosphoryl]amino]-3-methyl-butanoate
Database identifiers
- CAS
133201-14-6- PubChem CID
- 452571
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 12
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 889
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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