Calcium lactobionate dihydrate[二水乳糖酸钙]

110638-68-1

CAS Name

D-Gluconic acid, 4-O-β-D-galactopyranosyl-, calcium salt, hydrate (2:1:2)

Molecular Formula

C₁₂H₂₂O₁₂.¹/₂Ca.H₂O

Other Names and Identifiers

InChI

InChI=1S/C12H22O12.Ca.H2O/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;;/h3-10,12-20H,1-2H2,(H,21,22);;1H2/t3-,4-,5+,6+,7-,8-,9-,10-,12+;;/m1../s1

InChIKey

InChIKey=YHIOPFXFFLSTMG-VPCNTUMDSA-N

SMILES

[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)([C@@H]([C@H](C(O)=O)O)O)[C@@H](CO)O.[Ca].O

Canonical SMILES

[Ca].O=C(O)C(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)CO.O

Other Names for this Substance