C3P
- Molecular formula
- C9 H14 N3 O8 P
- Molecular weight (g/mol)
- 323.2
- Classification
- NATURAL_PRODUCT
Related PDB structures · 3
Names & identifiers
- IUPAC name
- CYTIDINE-3'-MONOPHOSPHATE
- SMILES
- C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)OP(=O)(O)O)O
- Isomeric SMILES
- C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)O
- InChI
- InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-6(14)7(4(3-13)19-8)20-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
- InChIKey
- UOOOPKANIPLQPU-XVFCMESISA-N
- CAS
- 84-52-6
Chemical & physical properties
- HBA
- 9
- HBD
- 5
- TPSA (Ų)
- 177.36
- cLogP
- -2.45
- Chiral atoms
- 4
- Molar refractivity
- 66.83
- Rings
- 2
- Aromatic rings
- 1
- Fraction Csp³
- 0.56
- Formal charge
- 0
Calculated properties
QED0.374
NPScore0.210815168
SAScore7.066096376