Basic information
- CAS
76495-80-2- Standard SMILES
O=C1N2CCN=C2C=CN1[C@H]1C[C@H](O)[C@@H](CO)O1- InChIKey
KWPGIQIGXCZEFG-QXFUBDJGSA-N- Molecular formula
- C11H15N3O4
- Average molar mass
- 253.25 g/mol
- Monoisotopic mass
- 253.10625597
Names & identifiers
- Preferred name
- 3,N4-Ethano-2'-deoxycytidine
- IUPAC
- 6-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one
Names & synonyms
3,N4-Ethano-2'-deoxycytidine76495-80-2DTXSID00227295RefChem:272812DTXCID001497866-((2R,4S,5R)-4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-2,3-dihydroimidazo[1,2-c]pyrimidin-5(6H)-one3,n4-ethanodeoxycytidine6-(2-Deoxy-|A-D-erythro-pentofuranosyl)-2,6-dihydroimidazo[1,2-c]pyrimidin-5(3H)-one6-(2-Deoxy-beta-D-erythro-pentofuranosyl)-2,6-dihydroimidazo[1,2-c]pyrimidin-5(3H)-one
Database identifiers
- CAS
76495-80-2- PubChem CID
- 190030
- DTXSID
DTXSID00227295- Nikkaji
- J638.299A
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 85.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 423
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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