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Substance Name: (D-Gluconato-O1,O2)(D-gluco-heptonato-O1,O2)calcium
RN: 94233-02-0
InChIKey: DDYVHXDTXYNJGW-RRJWUFKUSA-L

Molecular Formula

  • C13-H24-Ca-O15

Molecular Weight

  • 460.3956
 
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Names and Synonyms

Synonym

  • EINECS 304-032-9

Systematic Names

  • (D-Gluconato-O1,O2)(D-gluco-heptonato-O1,O2)calcium
  • Calcium, (D-gluconato-O1,O2)(D-gluco-heptonato-O1,O2)-

Registry Numbers

CAS Registry Number

  • 94233-02-0

System Generated Number

  • 0094233020

Structure Descriptors

InChI

1S/C7H14O8.C6H12O7.Ca/c8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;7-1-2(8)3(9)4(10)5(11)6(12)13;/h2-6,8-13H,1H2,(H,14,15);2-5,7-11H,1H2,(H,12,13);/q;;+2/p-2/t2-,3-,4-,5+,6-;2-,3-,4+,5-;/m11./s1

InChIKey

DDYVHXDTXYNJGW-RRJWUFKUSA-L

Smiles

C([C@H]([C@H]([C@H]([C@@H]([C@H](C(=O)O[Ca]OC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O)O)O)O)O)O