F-carbocyclic-AZT

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Basic information

CAS: 127530-13-6
Standard SMILES: Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)[C@@H]2F)c(=O)[nH]c1=O
InChIKey: HTMVXNVHLREVGF-XGEHTFHBSA-N
Molecular formula: C11H14FN5O3
Average molar mass: 283.26 g/mol
Monoisotopic mass: 283.10806749

Names & identifiers

Preferred name: F-carbocyclic-AZT
IUPAC: 1-[(1S,2S,3S,4S)-4-azido-2-fluoro-3-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione

Names & synonyms

F-carbocyclic-AZT6'-alpha-Fluorocarbocyclic AZT127530-13-62,4(1H,3H)-Pyrimidinedione, 1-(4-azido-2-fluoro-3-(hydroxymethyl)cyclopentyl)-5-methyl-, (1alpha,2beta,3alpha,4beta)-DTXSID501555996'-.alpha.-Fluorocarbocyclic AZT1-[(1S,2S,3S,4S)-4-azido-2-fluoro-3-(hydroxymethyl)cyclopentyl]-5-methyl-pyrimidine-2,4-dione1-[(1S,2S,3S,4S)-4-Azido-2-fluoro-3-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4(1H,3H)-dione2,4(1H,3H)-Pyrimidinedione, 1-[4-azido-2-fluoro-3-(hydroxymethyl)cyclopentyl]-5-methyl-, (1a,2b,3a,4b)-

Database identifiers

CAS: 127530-13-6
PubChem CID: 451709
DTXSID: DTXSID50155599

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 84 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 20
Formal charge: 0
Complexity: 516

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Compound notes

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