Molecule ID: 68655059

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

Description: The molecule is a pyrimidine ribonucleoside 5'-monophosphate that is the 5-carboxymethylaminomethyl-2'-O-methyl derivative of uridine 5'-monophosphate. It is a glycine derivative and a pyrimidine ribonucleoside 5'-monophosphate. It derives from a uridine 5'-monophosphate.

SMILES: CO[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@H]1n1cc(CNCC(=O)O)c(O)nc1=O

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

InChI: InChI=1S/C13H20N3O11P/c1-25-10-9(19)7(5-26-28(22,23)24)27-12(10)16-4-6(2-14-3-8(17)18)11(20)15-13(16)21/h4,7,9-10,12,14,19H,2-3,5H2,1H3,(H,17,18)(H,15,20,21)(H2,22,23,24)/t7-,9-,10-,12-/m1/s1

Molecular Properties:
- Polar Surface Area: 204.0 Ų
- LogP: -6.2