[(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
HIT218697742
sdf文件结构编辑类似物检索
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
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