3'-Azido-2',3'-dideoxy-5-thiocyanatouridine
Basic information
- CAS
111495-96-6- Standard SMILES
N#CSc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O- InChIKey
MRIVVOQRLBCTOK-SHYZEUOFSA-N- Molecular formula
- C10H10N6O4S
- Average molar mass
- 310.29 g/mol
- Monoisotopic mass
- 310.048424
Names & identifiers
- Preferred name
- 3'-Azido-2',3'-dideoxy-5-thiocyanatouridine
- IUPAC
- [1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl] thiocyanate
Names & synonyms
3'-Azido-2',3'-dideoxy-5-thiocyanatouridine3'-N3-5-SCN-ddU111495-96-6DTXSID50149670RefChem:269372DTXCID3072161CHEMBL3392150SCHEMBL156430793'-Azido-2',3'-dideoxy-5-(thiocyanato)uridine[1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2,4-dioxo-pyrimidin-5-yl] thiocyanate
Database identifiers
- CAS
111495-96-6- PubChem CID
- 451371
- DTXSID
DTXSID50149670- ChEMBL
CHEMBL3392150- Nikkaji
- J400.865K
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 592
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Related reactions
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Compound notes
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