PFAS

全球PFAS筛查数据库

GCIS

索非布韦代谢物GS-566500

Sofosbuvir metabolites GS566500

(2S)-2-(((((2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-fluoro-3-hydroxy-4-methyltetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)amino)propanoic acid

CAS号: 1233335-78-8

IUPAC名称: (2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-hydroxyphosphoryl]amino]propanoic acid

分子式: C13H19FN3O9P

分子量: 411.27700

InChI: InChI=1S/C13H19FN3O9P/c1-6(10(20)21)16-27(23,24)25-5-7-9(19)13(2,14)11(26-7)17-4-3-8(18)15-12(17)22/h3-4,6-7,9,11,19H,5H2,1-2H3,(H,20,21)(H,15,18,22)(H2,16,23,24)/t6-,7+,9+,11+,13+/m0/s1

InChIKey: UOYKQCZOTUPGRY-UARFSYEXSA-N

SMILES: C[C@@H](C(=O)O)NP(=O)(O)OC[C@@H]1[C@H]([C@@]([C@@H](O1)N2C=CC(=O)NC2=O)(C)F)O

EINECS: -