2,5'-Anhydro-3'-azido-2',3'-dideoxy-5-iodouridine

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Basic information

CAS: 120826-42-8
Standard SMILES: [N-]=[N+]=N[C@H]1C[C@H]2O[C@@H]1COc1nc(=O)c(I)cn12
InChIKey: ZIJPHYKZPQZKAJ-RRKCRQDMSA-N
Molecular formula: C9H8IN5O3
Average molar mass: 361.1 g/mol
Monoisotopic mass: 360.96719

Names & identifiers

Preferred name: 2,5'-Anhydro-3'-azido-2',3'-dideoxy-5-iodouridine
IUPAC: (1R,10S,11S)-11-azido-4-iodo-8,13-dioxa-2,6-diazatricyclo[8.2.1.02,7]trideca-3,6-dien-5-one

Names & synonyms

120826-42-82,5'-Anhydro-3'-azido-2',3'-dideoxy-5-iodouridineazido(iodo)[?]oneAZU-2,5'-anhydro-5-IDTXSID909235728-Azido-3-iodo-7,8,9,10-tetrahydro-2H,6H-6,9-epoxypyrimido[2,1-b][1,3]oxazocin-2-one(6R,8S,9S)-8-Azido-3-iodo-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-3-iodo-, [6R-(6a,8a,9a)]- (9CI)

Database identifiers

CAS: 120826-42-8
PubChem CID: 72210
DTXSID: DTXSID90923572

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 65.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 18
Formal charge: 0
Complexity: 512

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Compound notes

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