Molecule ID: 53477661

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

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

SMILES: C/C=C/COP(=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][/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/C13H21N2O15P3/c1-2-3-6-26-31(20,21)29-33(24,25)30-32(22,23)27-7-8-10(17)11(18)12(28-8)15-5-4-9(16)14-13(15)19/h2-5,8,10-12,17-18H,6-7H2,1H3,(H,20,21)(H,22,23)(H,24,25)(H,14,16,19)/b3-2+/t8-,10-,11-,12-/m1/s1

Molecular Properties:
- Polar Surface Area: 248.0 Ų
- LogP: -4.4