CTP
- Molecular formula
- C9 H16 N3 O14 P3
- Molecular weight (g/mol)
- 483.16
- Classification
- COFACTOR
Related PDB structures · 5
Names & identifiers
- IUPAC name
- CYTIDINE-5'-TRIPHOSPHATE
- SMILES
- C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O
- Isomeric SMILES
- C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O
- InChI
- InChI=1S/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
- InChIKey
- PCDQPRRSZKQHHS-XVFCMESISA-N
- CAS
- 65-47-4
Chemical & physical properties
- HBA
- 13
- HBD
- 7
- TPSA (Ų)
- 270.42
- cLogP
- -2.21
- Chiral atoms
- 6
- Molar refractivity
- 88.65
- Rings
- 2
- Aromatic rings
- 1
- Fraction Csp³
- 0.56
- Formal charge
- 0
Calculated properties
QED0.193
NPScore0.315158426
SAScore7.534489316