2'-Deoxy-N-[(diethylamino)methylidene]cytidine
Basic information
- CAS
138848-13-2- Standard SMILES
CCN(C=Nc1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1)CC- InChIKey
CVSXZPVLNJBKRE-DMDPSCGWSA-N- Molecular formula
- C14H22N4O4
- Average molar mass
- 310.35 g/mol
- Monoisotopic mass
- 310.1641052
Names & identifiers
- Preferred name
- 2'-Deoxy-N-[(diethylamino)methylidene]cytidine
- IUPAC
- N,N-diethyl-N'-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]methanimidamide
Names & synonyms
DTXSID308776462'-Deoxy-N-[(diethylamino)methylidene]cytidineCytidine, 2'-deoxy-N-[(diethylamino)methylene]-138848-13-2
Database identifiers
- CAS
138848-13-2- PubChem CID
- 101662995
- DTXSID
DTXSID30877646- Nikkaji
- J584.617J
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 98 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 487
Experimental & physicochemical properties
LogP-0.21
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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