Molecule ID: 22873403

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

Description: The molecule is an organic triphosphate formed by condensation between the gamma-phospho group of uridine 5'-triphosphate and allyl alcohol. It derives from an allyl alcohol and an UTP.

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

SELFIES: [C][=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@H1][Branch1][C][O][C@@H1][Ring1][=C][O]

InChI: InChI=1S/C12H19N2O15P3/c1-2-5-25-30(19,20)28-32(23,24)29-31(21,22)26-6-7-9(16)10(17)11(27-7)14-4-3-8(15)13-12(14)18/h2-4,7,9-11,16-17H,1,5-6H2,(H,19,20)(H,21,22)(H,23,24)(H,13,15,18)/t7-,9-,10-,11-/m1/s1

Molecular Properties:
- Polar Surface Area: 248.0 Ų
- LogP: -4.6