2,5'-Anhyfto-3'-azido-2',3'-dideoxyuridine

HCID 64992

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Basic information

CAS: 120826-45-1
Standard SMILES: [N-]=[N+]=N[C@H]1C[C@H]2O[C@@H]1COc1nc(=O)ccn12
InChIKey: FJEFHLWFBLZMJP-SHYZEUOFSA-N
Molecular formula: C9H9N5O3
Average molar mass: 235.2 g/mol
Monoisotopic mass: 235.07053917

Names & identifiers

Preferred name: 2,5'-Anhyfto-3'-azido-2',3'-dideoxyuridine
IUPAC: (1R,10S,11S)-11-azido-8,13-dioxa-2,6-diazatricyclo[8.2.1.02,7]trideca-3,6-dien-5-one

Names & synonyms

2,5'-Anhyfto-3'-azido-2',3'-dideoxyuridine120826-45-1AZU-2,5'-anhydroDTXSID301530336,9-Epoxy-2H,6H-pyrimido(2,1-b)1,3)oxazocin-2-one, 8-azido-7,8,9,10-tetrahydro-, (6R-(6alpha,8alpha,9alpha))-2,5'-Anhydro-3'-azido-2',3'-dideoxyuridine(6R,8S,9S)-8-Azido-7,8,9,10-tetrahydro-2H,6H-6,9-epoxypyrimido[2,1-b][1,3]oxazocin-2-one6,9-Epoxy-2H,6H-pyrimido[2,1-b][1,3]oxazocin-2-one,8-azido-7,8,9,10-tetrahydro-, (6R,8S,9S)-

Database identifiers

CAS: 120826-45-1
PubChem CID: 64992
DTXSID: DTXSID30153033

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 65.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 17
Formal charge: 0
Complexity: 467

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