Molecule ID: 49852446

IUPAC Name: (2S)-2-amino-3-[4-[[(2R,3S,4R,5R)-3-[6-aminohexoxy(hydroxy)phosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyphenyl]propanoic acid

Description: The molecule is an L-tyrosine derivative having a 3'-O-{[(6-aminohexyl)oxy](hydroxy)phosphoryl}uridine phosphate attached to the phenolic hydroxy group via a phosphoester linkage. It is a uridine bisphosphate and a L-tyrosine derivative.

SMILES: NCCCCCCOP(=O)(O)O[C@H]1[C@@H](O)[C@H](n2ccc(O)nc2=O)O[C@@H]1COP(=O)(O)Oc1ccc(C[C@H](N)C(=O)O)cc1

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

InChI: InChI=1S/C24H36N4O14P2/c25-10-3-1-2-4-12-38-43(34,35)42-21-18(40-22(20(21)30)28-11-9-19(29)27-24(28)33)14-39-44(36,37)41-16-7-5-15(6-8-16)13-17(26)23(31)32/h5-9,11,17-18,20-22,30H,1-4,10,12-14,25-26H2,(H,31,32)(H,34,35)(H,36,37)(H,27,29,33)/t17-,18+,20+,21+,22+/m0/s1

Molecular Properties:
- Polar Surface Area: 280.0 Ų
- LogP: -7.3