TFAc-tyrosyl-AZT

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Basic information

CAS: 125780-82-7
Standard SMILES: Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COC(=O)[C@@H](N)Cc3ccc(O)cc3)O2)c(=O)[nH]c1=O
InChIKey: LHYWOANRBUCIPU-CAOSSQGBSA-N
Molecular formula: C19H22N6O6
Average molar mass: 430.4 g/mol
Monoisotopic mass: 430.16008244

Names & identifiers

Preferred name: TFAc-tyrosyl-AZT
IUPAC: [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate

Names & synonyms

TFAc-tyrosyl-AZT125780-82-7DTXSID803323363'-Azido-3'-deoxy-5'-O-L-tyrosylthymidine5'-Tyrosyl-3'-azido-3'-deoxythymidine trifluoroacetic acid salt[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate

Database identifiers

CAS: 125780-82-7
PubChem CID: 451748
DTXSID: DTXSID80332336
Nikkaji: J304.245F

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 146 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 9
Rotatable bonds: 8
Heavy atoms: 31
Formal charge: 0
Complexity: 789

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Compound notes

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