Molecule ID: 68655124

IUPAC Name: 2-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetic acid

Description: The molecule is a uridine phosphate in which the uridine bears an additional carboxymethyl substituent at position 5 and the phosphono group is at the 5'-oxygen.

SMILES: O=C(O)Cc1cn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)nc1O

SELFIES: [O][=C][Branch1][C][O][C][C][=C][N][Branch2][Ring1][Branch2][C@@H1][O][C@H1][Branch1][O][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C@@H1][Branch1][C][O][C@H1][Ring1][N][O][C][=Branch1][C][=O][N][=C][Ring2][Ring1][Ring2][O]

InChI: InChI=1S/C11H15N2O11P/c14-6(15)1-4-2-13(11(19)12-9(4)18)10-8(17)7(16)5(24-10)3-23-25(20,21)22/h2,5,7-8,10,16-17H,1,3H2,(H,14,15)(H,12,18,19)(H2,20,21,22)/t5-,7-,8-,10-/m1/s1

Molecular Properties:
- Polar Surface Area: 203.0 Ų
- LogP: -4.5