D-glyceric acid calcium dihydrate

Catalog Number	ACM6000415-1
CAS	6000-41-5
Synonyms	Calcium;(2R)-2,3-dihydroxypropanoate;dihydrate
Molecular Weight	286.25
Molecular Formula	C6H14CaO10
Canonical SMILES	C(C(C(=O)[O-])O)O.C(C(C(=O)[O-])O)O.O.O.[Ca+2]
InChI	InChI=1S/2C3H6O4.Ca.2H2O/c2*4-1-2(5)3(6)7;/h2*2,4-5H,1H2,(H,6,7);2*1H2/q;+2;/p-2/t2*2-;/m11./s1
InChI Key	OKEVQKKVYQHNFW-AKYROZSLSA-L
Melting Point	134 °C
Purity	99%
Exact Mass	286.0212875
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	6
Isomeric SMILES	C([C@H](C(=O)[O-])O)O.C([C@H](C(=O)[O-])O)O.O.O.[Ca+2]
Monoisotopic Mass	286.0212875
Rotatable Bond Count	2
Topological Polar Surface Area	163 Ų