DGT
- Molecular formula
- C10 H16 N5 O13 P3
- Molecular weight (g/mol)
- 507.18
- Classification
- NATURAL_PRODUCT
Related PDB structures · 14
Names & identifiers
- IUPAC name
- 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE
- SMILES
- c1nc2c(n1C3CC(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N
- Isomeric SMILES
- c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N
- InChI
- InChI=1S/C10H16N5O13P3/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1
- InChIKey
- HAAZLUGHYHWQIW-KVQBGUIXSA-N
- CAS
- 2564-35-4
Chemical & physical properties
- HBA
- 13
- HBD
- 7
- TPSA (Ų)
- 278.87
- cLogP
- -1.31
- Chiral atoms
- 5
- Molar refractivity
- 96.91
- Rings
- 3
- Aromatic rings
- 2
- Fraction Csp³
- 0.5
- Formal charge
- 0
Calculated properties
QED0.204
NPScore0.216042431
SAScore7.093276403