DCM
- Molecular formula
- C9 H14 N3 O7 P
- Molecular weight (g/mol)
- 307.2
- Classification
- NATURAL_PRODUCT
Related PDB structures · 2
Names & identifiers
- IUPAC name
- 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE
- SMILES
- C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)O)O
- Isomeric SMILES
- C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O
- InChI
- InChI=1S/C9H14N3O7P/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
- InChIKey
- NCMVOABPESMRCP-SHYZEUOFSA-N
- CAS
- 1032-65-1
Chemical & physical properties
- HBA
- 8
- HBD
- 4
- TPSA (Ų)
- 157.13
- cLogP
- -1.42
- Chiral atoms
- 3
- Molar refractivity
- 65.44
- Rings
- 2
- Aromatic rings
- 1
- Fraction Csp³
- 0.56
- Formal charge
- 0
Calculated properties
QED0.49
NPScore0.212565198
SAScore6.428401153