3'-Azido-2'-deoxy-5-(2-propynyloxy)uridine
Basic information
- CAS
111495-93-3- Standard SMILES
C#CCOc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O- InChIKey
QJXBESLQNMJFIR-FXBDTBDDSA-N- Molecular formula
- C12H13N5O5
- Average molar mass
- 307.26 g/mol
- Monoisotopic mass
- 307.09166853
Names & identifiers
- Preferred name
- 3'-Azido-2'-deoxy-5-(2-propynyloxy)uridine
- IUPAC
- 1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-prop-2-ynoxypyrimidine-2,4-dione
Names & synonyms
111495-93-33'-N3-5-OCH2CCH-ddU3'-Azido-2'-deoxy-5-(2-propynyloxy)uridine3'-azido-2',3'-dideoxy-5-(2-propynyloxy)uridineCHEMBL3392153DTXSID309121821-(3-Azido-2,3-dideoxy-beta-D-erythro-pentofuranosyl)-4-hydroxy-5-[(prop-2-yn-1-yl)oxy]pyrimidin-2(1H)-one1-(3-Azido-2,3-dideoxypentofuranosyl)-4-hydroxy-5-[(prop-2-yn-1-yl)oxy]pyrimidin-2(1H)-one1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-prop-2-ynoxy-pyrimidine-2,4-dione
Database identifiers
- CAS
111495-93-3- PubChem CID
- 451391
- DTXSID
DTXSID30912182- ChEMBL
CHEMBL3392153
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 602
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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