Calcium borogluconate

Catalog Number	ACM5743340-1
CAS	5743-34-0
Structure
Synonyms	Borogluconate
Molecular Weight	482
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
Purity	98%+
Density	g/cm³
Exact Mass	482.0563357
Hydrogen Bond Acceptor Count	16
Hydrogen Bond Donor Count	8
Monoisotopic Mass	482.0563357
Rotatable Bond Count	6
Topological Polar Surface Area	279 Ų