Calcium, (4-O-β-D-galactopyranosyl-D-gluconato-O1)(D-gluconato-O1)-
CAS Registry Number®
97635-31-9
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CAS Name
Calcium, (4-O-β-D-galactopyranosyl-D-gluconato-O1)(D-gluconato-O1)-Molecular Formula
C18H32CaO19Cite this Page
Calcium, (4-O-β-D-galactopyranosyl-D-gluconato-O1)(D-gluconato-O1)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=97635-31-9 (retrieved ) (CAS RN: 97635-31-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C12H22O12.C6H12O7.Ca/c13-1-3(15)10(7(18)8(19)11(21)22)24-12-9(20)6(17)5(16)4(2-14)23-12;7-1-2(8)3(9)4(10)5(11)6(12)13;/h3-10,12-20H,1-2H2,(H,21,22);2-5,7-11H,1H2,(H,12,13);/q;;+2/p-2/t3-,4-,5+,6+,7-,8-,9-,10-,12+;2-,3-,4+,5-;/m11./s1
InChIKey
InChIKey=YPCRNBPOUVJVMU-LCGAVOCYSA-L
SMILES
O([C@@H]([C@@H]([C@H](C(O[Ca]OC([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)=O)=O)O)O)[C@@H](CO)O)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Canonical SMILES
O=C(O[Ca]OC(=O)C(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)CO)C(O)C(O)C(O)C(O)CO
Other Names for this Substance
- Calcium, (4-O-β-D-galactopyranosyl-D-gluconato-O1)(D-gluconato-O1)-
- Calcium D-gluconate lactobionate
Deleted or Replaced CAS Registry Numbers
31959-85-0
