N4-Acetyl-3'-O-acetyl-2'-deoxycytidine
Basic information
- CAS
70284-47-8- Standard SMILES
CC(=O)Nc1ccn([C@H]2C[C@H](OC(C)=O)[C@@H](CO)O2)c(=O)n1- InChIKey
URRCDYLSABOZNS-HOSYDEDBSA-N- Molecular formula
- C13H17N3O6
- Average molar mass
- 311.29 g/mol
- Monoisotopic mass
- 311.11173527
Names & identifiers
- Preferred name
- N4-Acetyl-3'-O-acetyl-2'-deoxycytidine
- IUPAC
- [(2R,3S,5R)-5-(4-acetamido-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] acetate
- English name
- 4-3''-O-DIACETYL-2''DEOXYCYTIDINE
- Molecular formula
- C13H17N3O6
- Molecular weight
- 311.29
Names & synonyms
N4-Acetyl-3'-O-acetyl-2'-deoxycytidine70284-47-8[(2R,3S,5R)-5-(4-acetamido-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] acetate3-O, N4-Diacetyl-2-deoxycytidineNA03451N4,3′-O-Diacetyl-2′-deoxycytidine4-3''-O-DIACETYL-2''DEOXYCYTIDINEN-Acetyl-2'-deoxycytidine 3'-acetateN(sup 4)-3'-O-diacetyl-2'-deoxycytidineCytidine, N-acetyl-2'-deoxy-, 3'-acetateN4-acetyl-1-cytosine
Database identifiers
- CAS
70284-47-8- PubChem CID
- 688454
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 544
Physicochemical properties
- Density
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- pka
- 10.27 · 10.27±0.20(Predicted)
Chemistry & industry
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