Calcium gluconate anhydrous

CAT: 0063-90005116Size: 1 KgDry Ice: NoHazardous: No

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CAT#:0063-90005116Size:1 Kg

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CAS Number

299-28-5

Chemical Information

Calcium Gluconate

Calcium gluconate is the calcium salt of D-gluconic acid. It has a role as a nutraceutical. It contains a D-gluconate.

CAS Number	299-28-5
PubChem CID	9290
IUPAC Name	calcium bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)
Molecular Formula	C12H22CaO14
Molecular Weight	430.37
Topological Polar Surface Area	283
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	8
Heavy Atom Count	27
Formal Charge	0
Complexity	165

SMILES

C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.[Ca+2]

InChI

InChI=1S/2C6H12O7.Ca/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*2-5,7-11H,1H2,(H,12,13);/q;;+2/p-2/t2*2-,3-,4+,5-;/m11./s1

InChIKey

NEEHYRZPVYRGPP-IYEMJOQQSA-L

Chemical Structure

2D Structure

CAS: 299-28-5

CID: 9290

Formula: C12H22CaO14

MW: 430.37

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	430.37
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	8
Exact Mass	430.0635462
Monoisotopic Mass	430.0635462
Topological Polar Surface Area	283 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	165
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	3
Compound Is Canonicalized	Yes

Catalog	Name
CS-ER-00353	Calcium Gluconate Anhydrous (Secondary Standards traceble to USP)
412236	Calcium Gluconate
BUP19860	Gluconate Calcium
HY-B1092-01	Gluconate (Calcium)
40300024-1	Calcium D-Gluconate
GTR19192176	Calcium gluconate monohydrate
HY-B1092R-01	Gluconate (Calcium) (Standard)
MC13902-01	Calcium lactate gluconate
HY-W145486R-01	Calcium gluconate (Standard)