M7G
- Molecular formula
- C11 H18 N5 O11 P2
- Molecular weight (g/mol)
- 458.24
- Classification
- NATURAL_PRODUCT
Related PDB structures · 1
Names & identifiers
- IUPAC name
- 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE
- SMILES
- C[n+]1cn(c2c1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O
- Isomeric SMILES
- C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O
- InChI
- InChI=1S/C11H17N5O11P2/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(26-10)2-25-29(23,24)27-28(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H5-,12,13,14,19,20,21,22,23,24)/p+1/t4-,6-,7-,10-/m1/s1
- InChIKey
- SBASPRRECYVBRF-KQYNXXCUSA-O
- CAS
- 104809-16-7
Chemical & physical properties
- HBA
- 11
- HBD
- 7
- TPSA (Ų)
- 243.56
- cLogP
- -3.02
- Chiral atoms
- 4
- Molar refractivity
- 90.77
- Rings
- 3
- Aromatic rings
- 2
- Fraction Csp³
- 0.55
- Formal charge
- 1
Calculated properties
QED0.168
NPScore0.232709818
SAScore7.79048504