IMP
- Molecular formula
- C10 H13 N4 O8 P
- Molecular weight (g/mol)
- 348.21
- Classification
- COFACTOR
Related PDB structures · 1
Names & identifiers
- IUPAC name
- INOSINIC ACID
- SMILES
- c1nc2c(n1C3C(C(C(O3)COP(=O)(O)O)O)O)N=CNC2=O
- Isomeric SMILES
- c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O
- InChI
- InChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
- InChIKey
- GRSZFWQUAKGDAV-KQYNXXCUSA-N
- CAS
- 131-99-7
Chemical & physical properties
- HBA
- 9
- HBD
- 5
- TPSA (Ų)
- 180.02
- cLogP
- -2.15
- Chiral atoms
- 4
- Molar refractivity
- 72.07
- Rings
- 3
- Aromatic rings
- 2
- Fraction Csp³
- 0.5
- Formal charge
- 0
Calculated properties
QED0.382
NPScore0.103216951
SAScore6.268113716