Basic information
- CAS
123413-57-0- Standard SMILES
O=C(Nc1ccn([C@H]2C=C[C@@H](CO)O2)c(=O)n1)c1ccccc1- InChIKey
PXKQTZQZCJHBQL-GXTWGEPZSA-N- Molecular formula
- C16H15N3O4
- Average molar mass
- 313.31 g/mol
- Monoisotopic mass
- 313.10625597
Overview
structure given in first source
Names & identifiers
- Preferred name
- N(4)-benzoyl-2',3'-dideoxy-2',3'-didehydrocytidine
- IUPAC
- N-[1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-2-oxopyrimidin-4-yl]benzamide
- English name
- N(4)-benzoyl-2',3'-dideoxy-2',3'-didehydrocytidine
- Molecular formula
- C16H15N3O4
- Molecular weight
- 313.308
Names & synonyms
Bz-Ddcn123413-57-0N(4)-Benzoyl-2',3'-dideoxy-2',3'-didehydrocytidineRefChem:160692N-Benzoyl-2',3'-didehydro-2',3'-dideoxycytidineCytidine, N-benzoyl-2',3'-didehydro-2',3'-dideoxy-SCHEMBL3782352DTXSID80924497N-{2-Hydroxy-1-[5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-4(1H)-ylidene}benzamideN-{2-Hydroxy-1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-4(1H)-ylidene}benzamide
Database identifiers
- CAS
123413-57-0- PubChem CID
- 72227
- DTXSID
DTXSID80924497
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 91.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 564
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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