GTP
- Molecular formula
- C10 H16 N5 O14 P3
- Molecular weight (g/mol)
- 523.18
- Classification
- COFACTOR
Related PDB structures · 41
Names & identifiers
- IUPAC name
- GUANOSINE-5'-TRIPHOSPHATE
- SMILES
- c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=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)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
- InChI
- InChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
- InChIKey
- XKMLYUALXHKNFT-UUOKFMHZSA-N
- CAS
- 1986/1/1
Chemical & physical properties
- HBA
- 14
- HBD
- 8
- TPSA (Ų)
- 299.1
- cLogP
- -2.34
- Chiral atoms
- 4
- Molar refractivity
- 98.3
- Rings
- 3
- Aromatic rings
- 2
- Fraction Csp³
- 0.5
- Formal charge
- 0
Calculated properties
QED0.168
NPScore0.207816229
SAScore7.398901444