Catalog Number
ACM5743340-1
Product Name
Calcium borogluconate
Category
Heterocyclic Organic Compound
Molecular Formula
C12H20B2CaO16
Canonical SMILES
B1(OC(C(O1)C(C(C(=O)[O-])O)O)CO)O.B1(OC(C(O1)C(C(C(=O)[O-])O)O)CO)O.[Ca+2]
InChI
InChI=1S/2C6H11BO8.Ca/c2*8-1-2-5(15-7(13)14-2)3(9)4(10)6(11)12;/h2*2-5,8-10,13H,1H2,(H,11,12);/q;+2/p-2
InChI Key
SSKRIDIHZLFJCG-UHFFFAOYSA-L
Hydrogen Bond Acceptor Count
16
Hydrogen Bond Donor Count
8
Monoisotopic Mass
482.0563357
Topological Polar Surface Area
279 Ų
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