DL-threo-2-methylisocitrate sodium
HIT213841043
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HIT ID: HIT213841043
Cas No:
分子式: C14H14Na6O14
分子量: 544.191
常用名: DL-threo-2-methylisocitrate sodium
常用名: DL-threo-2-methylisocitrate sodium
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: hexasodium (1R,2R)-1-hydroxy-1-methylpropane-1,2,3-tricarboxylate (1S,2S)-1-hydroxy-1-methylpropane-1,2,3-tricarboxylate
IUPAC: hexasodium (1R,2R)-1-hydroxy-1-methylpropane-1,2,3-tricarboxylate (1S,2S)-1-hydroxy-1-methylpropane-1,2,3-tricarboxylate
SMILES: [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[H][C@](CC([O-])=O)(C([O-])=O)[C@](C)(O)C([O-])=O.[H][C@@](CC([O-])=O)(C([O-])=O)[C@@](C)(O)C([O-])=O
SMILES: [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[H][C@](CC([O-])=O)(C([O-])=O)[C@](C)(O)C([O-])=O.[H][C@@](CC([O-])=O)(C([O-])=O)[C@@](C)(O)C([O-])=O
InChI key: HHUNWLYVWGUPOT-FLAQYFRFSA-H
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