GNP
- Molecular formula
- C10 H17 N6 O13 P3
- Molecular weight (g/mol)
- 522.2
- Classification
- COFACTOR
Related PDB structures · 5
Names & identifiers
- IUPAC name
- PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
- SMILES
- c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N
- Isomeric SMILES
- c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N
- InChI
- InChI=1S/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/t3-,5-,6-,9-/m1/s1
- InChIKey
- UQABYHGXWYXDTK-UUOKFMHZSA-N
- CAS
- 34273-04-6
Chemical & physical properties
- HBA
- 13
- HBD
- 9
- TPSA (Ų)
- 301.9
- cLogP
- -2.76
- Chiral atoms
- 6
- Molar refractivity
- 100.35
- Rings
- 3
- Aromatic rings
- 2
- Fraction Csp³
- 0.5
- Formal charge
- 0
Calculated properties
QED0.159
NPScore0.21837271
SAScore7.719629996