Thymidine, 3'-(O-phenyl carbonothioate)
Basic information
- CAS
115913-90-1- Standard SMILES
Cc1cn([C@H]2C[C@H](OC(=S)Oc3ccccc3)[C@@H](CO)O2)c(=O)[nH]c1=O- InChIKey
ADBKNHRMMFIKJX-BFHYXJOUSA-N- Molecular formula
- C17H18N2O6S
- Average molar mass
- 378.4 g/mol
- Monoisotopic mass
- 378.08855747
Names & identifiers
- Preferred name
- Thymidine, 3'-(O-phenyl carbonothioate)
- IUPAC
- 1-[(2R,4S,5R)-5-(hydroxymethyl)-4-phenoxycarbothioyloxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
Names & synonyms
Thymidine, 3'-(O-phenyl carbonothioate)3'-O-Ph-SC=O-2'-T3'-O-Phenoxythiocarbonyl-thymidine115913-90-1CHEMBL3144571DTXSID301512313'-O-(Phenoxycarbonothioyl)thymidine1-[(2R,4S,5R)-5-(hydroxymethyl)-4-phenoxycarbothioyloxy-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
Database identifiers
- CAS
115913-90-1- PubChem CID
- 451885
- DTXSID
DTXSID30151231- ChEMBL
CHEMBL3144571
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 604
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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