DGP
- Molecular formula
- C10 H14 N5 O7 P
- Molecular weight (g/mol)
- 347.22
- Classification
- NATURAL_PRODUCT
Related PDB structures · 2
Names & identifiers
- IUPAC name
- 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE
- SMILES
- c1nc2c(n1C3CC(C(O3)COP(=O)(O)O)O)N=C(NC2=O)N
- Isomeric SMILES
- c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N
- InChI
- InChI=1S/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1
- InChIKey
- LTFMZDNNPPEQNG-KVQBGUIXSA-N
- CAS
- 902-04-5
Chemical & physical properties
- HBA
- 9
- HBD
- 5
- TPSA (Ų)
- 185.81
- cLogP
- -1.54
- Chiral atoms
- 3
- Molar refractivity
- 75.09
- Rings
- 3
- Aromatic rings
- 2
- Fraction Csp³
- 0.5
- Formal charge
- 0
Calculated properties
QED0.406
NPScore0.081628827
SAScore4.802188445