Molecule ID: 22873456

IUPAC Name: [[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [ethoxy(hydroxy)phosphoryl] hydrogen phosphate

Description: The molecule is an organic triphosphate formed by condensation between the gamma-phospho group of 2'-deoxyuridine 5'-triphosphate and ethanol. It derives from a dUTP and an ethanol.

SMILES: CCOP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(O)nc2=O)C[C@@H]1O

SELFIES: [C][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][C][C@H1][O][C@@H1][Branch1][=N][N][C][=C][C][Branch1][C][O][=N][C][Ring1][#Branch1][=O][C][C@@H1][Ring1][=N][O]

InChI: InChI=1S/C11H19N2O14P3/c1-2-23-28(17,18)26-30(21,22)27-29(19,20)24-6-8-7(14)5-10(25-8)13-4-3-9(15)12-11(13)16/h3-4,7-8,10,14H,2,5-6H2,1H3,(H,17,18)(H,19,20)(H,21,22)(H,12,15,16)/t7-,8+,10+/m0/s1

Molecular Properties:
- Polar Surface Area: 228.0 Ų
- LogP: -4.6