Basic information
- CAS
28307-19-9- Standard SMILES
Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)c1- InChIKey
OGADSZTVCUXSOK-PEBGCTIMSA-N- Molecular formula
- C10H14N2O5
- Average molar mass
- 242.23 g/mol
- Monoisotopic mass
- 242.09027155
Overview
structure
Names & identifiers
- Preferred name
- 3-Deazacytidine
- IUPAC
- 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-2-one
Names & synonyms
3-deazacytidine28307-19-9RefChem:936154-amino-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl)-1,2-dihydropyridin-2-oneCTDNSC 1331151-(beta-D-Ribofuranosyl)-4-amino-2-pyridone4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-2-oneCHEMBL1231969DB04385PD059302NS00070172
Show more names
4-amino-1-beta-D-ribofuranosylpyridin-2(1H)-one2(1H)-Pyridone, 4-amino-1-beta-D-ribofuranosyl-2(1H)-Pyridinone, 4-amino-1-beta-D-ribofuranosyl-Q63390506
Database identifiers
- CAS
28307-19-9- PubChem CID
- 97577
- ChEMBL
CHEMBL1231969- Nikkaji
- J325.498D
Properties
Computed structural properties
- XLogP
- -2.1
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 381
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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