DG3
- Molecular formula
- C10 H16 N5 O12 P3
- Molecular weight (g/mol)
- 491.18
- Classification
- NATURAL_PRODUCT
Related PDB structures · 2
Names & identifiers
- IUPAC name
- 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE
- SMILES
- c1nc2c(n1C3CCC(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N=C(NC2=O)N
- Isomeric SMILES
- c1nc2c(n1[C@H]3CC[C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)N=C(NC2=O)N
- InChI
- InChI=1S/C10H16N5O12P3/c11-10-13-8-7(9(16)14-10)12-4-15(8)6-2-1-5(25-6)3-24-29(20,21)27-30(22,23)26-28(17,18)19/h4-6H,1-3H2,(H,20,21)(H,22,23)(H2,17,18,19)(H3,11,13,14,16)/t5-,6+/m0/s1
- InChIKey
- HDRRAMINWIWTNU-NTSWFWBYSA-N
- CAS
- 68726-28-3
Chemical & physical properties
- HBA
- 12
- HBD
- 6
- TPSA (Ų)
- 258.64
- cLogP
- -0.28
- Chiral atoms
- 4
- Molar refractivity
- 95.52
- Rings
- 3
- Aromatic rings
- 2
- Fraction Csp³
- 0.5
- Formal charge
- 0
Calculated properties
QED0.26
NPScore0.220739006
SAScore6.580339994