CGP
- Molecular formula
- C19 H25 N8 O10 P
- Molecular weight (g/mol)
- 556.43
- Classification
- NATURAL_PRODUCT
Related PDB structures · 4
Names & identifiers
- IUPAC name
- 2'-DEOXYCYTIDINE-2'-DEOXYGUANOSINE-3',5'-MONOPHOSPHATE
- SMILES
- c1nc2c(n1C3CC(C(O3)COP(=O)(O)OC4CC(OC4CO)N5C=CC(=NC5=O)N)O)N=C(NC2=O)N
- Isomeric SMILES
- c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[C@@H]4C[C@@H](O[C@H]4CO)N5C=CC(=NC5=O)N)O)N=C(NC2=O)N
- InChI
- InChI=1S/C19H25N8O10P/c20-12-1-2-26(19(31)23-12)14-4-9(10(5-28)35-14)37-38(32,33)34-6-11-8(29)3-13(36-11)27-7-22-15-16(27)24-18(21)25-17(15)30/h1-2,7-11,13-14,28-29H,3-6H2,(H,32,33)(H2,20,23,31)(H3,21,24,25,30)/t8-,9?,10?,11+,13+,14?/m0/s1
- InChIKey
- OBCJQWSXSLYWHI-GVKYBDNRSA-N
- CAS
- 52474-59-6
Chemical & physical properties
- HBA
- 16
- HBD
- 6
- TPSA (Ų)
- 265.18
- cLogP
- -2.03
- Chiral atoms
- 3
- Molar refractivity
- 126.27
- Rings
- 5
- Aromatic rings
- 3
- Fraction Csp³
- 0.53
- Formal charge
- 0
Calculated properties
QED0.163
NPScore0.117995018
SAScore8.363081841