HIT ID: HIT218697742

Cas No: 19041-09-9

分子式: C11H19NO9S2

分子量: 373.39

常用名: [(1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}pent-4-en-1-ylidene)amino]oxysulfonic acid, Gluconapin

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: {[(1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}pent-4-en-1-ylidene)amino]oxy}sulfonic acid

SMILES: OC[C@H]1O[C@@H](SC(CCC=C)=NOS(O)(=O)=O)[C@H](O)[C@@H](O)[C@@H]1O

InChI key: PLYQBXHVYUJNQB-ZHVGPZTNSA-N