DCP
- Molecular formula
- C9 H16 N3 O13 P3
- Molecular weight (g/mol)
- 467.16
- Classification
- NATURAL_PRODUCT
Related PDB structures · 1
Names & identifiers
- IUPAC name
- 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE
- SMILES
- C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
- Isomeric SMILES
- C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O
- InChI
- InChI=1S/C9H16N3O13P3/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(23-8)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H,20,21)(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
- InChIKey
- RGWHQCVHVJXOKC-SHYZEUOFSA-N
- CAS
- 2056-98-6
Chemical & physical properties
- HBA
- 12
- HBD
- 6
- TPSA (Ų)
- 250.19
- cLogP
- -1.18
- Chiral atoms
- 5
- Molar refractivity
- 87.26
- Rings
- 2
- Aromatic rings
- 1
- Fraction Csp³
- 0.56
- Formal charge
- 0
Calculated properties
QED0.246
NPScore0.3263851
SAScore7.281233533