N4,5'-O-Dibenzoyl-2'-deoxycytidine
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Basic information
- CAS
161664-22-8- Standard SMILES
O=C(Nc1ccn([C@H]2C[C@@H](O)[C@@H](COC(=O)c3ccccc3)O2)c(=O)n1)c1ccccc1- InChIKey
ADBLMNPUSHTBKL-QWFCFKBJSA-N- Molecular formula
- C23H21N3O6
- Average molar mass
- 435.4 g/mol
- Monoisotopic mass
- 435.1430354
Names & identifiers
- Preferred name
- N4,5'-O-Dibenzoyl-2'-deoxycytidine
- IUPAC
- [(2R,3R,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl benzoate
- English name
- N4,5'-O-Dibenzoyl-2'-deoxycytidine
- Molecular formula
- C23H21N3O6
- Molecular weight
- 435.43
Names & synonyms
N4-Benzoyl-5'-O-benzoyl-2'-deoxycytidine161664-22-8N4,5'-O-Dibenzoyl-2'-deoxycytidineNB08667N4,5'-O-Dibenzoyl-2'-deoxy-D-cytidineN4-benzoyl-1-(5-O-benzoyl-2-deoxy-β-D-threo-pentofuranosyl)cytosine
Database identifiers
- CAS
161664-22-8- PubChem CID
- 26322073
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 770
Physicochemical properties
- Density
- 1.401 · 1.401±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 8.661 · 8.661±0.20(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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