Vitamin CK3
HIT214315167
sdf文件结构编辑类似物检索
HIT ID: HIT214315167
Cas No: 1085703-32-7
分子式: C17H18Na2O11S
分子量: 476.36
常用名: Vitamin CK3
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2,5-dihydrofuran-2-one 2-methyl-1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonic acid disodium
IUPAC: (5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2,5-dihydrofuran-2-one 2-methyl-1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonic acid disodium
SMILES: [Na].[Na].[H][C@@]1(OC(=O)C(O)=C1O)[C@H](O)CO.CC1(CC(=O)c2ccccc2C1=O)S(O)(=O)=O |c:6|jcExt:v:0:0,1:0
SMILES: [Na].[Na].[H][C@@]1(OC(=O)C(O)=C1O)[C@H](O)CO.CC1(CC(=O)c2ccccc2C1=O)S(O)(=O)=O |c:6|jcExt:v:0:0,1:0
InChI key: RXNIARIYWPFYPK-NLLKWPQFSA-N
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