Chem
J-GLOBAL ID：200907007682774910   Nikkaji number：J306.709B

Calcium glucoheptonate

グルコヘプトン酸カルシウム
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C14H26CaO16
Molecular formula furigana： C14-H26-CA-O16
Molecular weight： 490.424
InChI： InChI=1S/2C7H14O8.Ca/c2*8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;/h2*2-6,8-13H,1H2,(H,14,15);/q;;+2/p-2/t2*2-,3-,4+,5-,6?;/m11./s1
InChI key： FATUQANACHZLRT-KMRXSBRUSA-L
SMILES： OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)C(=O)O[Ca]OC(=O)C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
Systematic name  (3)：
  • ビス[(3R,4S,5R,6R)-2,3,4,5,6,7-ヘキサヒドロキシヘプタン酸]カルシウム
  • {[(3R,4S,5R,6R)-2,3,4,5,6,7-ヘキサヒドロキシヘプタノイル]オキシ}カルシオ (3R,4S,5R,6R)-2,3,4,5,6,7-ヘキサヒドロキシヘプタノアート
  • {[(3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoyl]oxy}calcio (3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate
Other name (3)：
  • Bis[(3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoic acid]calcium salt
  • グルコヘプトン酸カルシウム
  • Calcium glucoheptonate
CAS registry number： 29039-00-7
Regulation number (1)：
  • EINECS2493838
KEGG DRUG： D00934
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