Calcium lactate gluconate

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CAT#:0926-MC13902-01Size:0.5 Kg

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CAS Number

11116-97-5

MDL Number

MFCD01320836

Smiles

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

Molecular Formula

(C3H5O3) 2Ca• (C6H11O7) 2Ca

Molecular Weight

648.59 g/mol

Controlled

Chemical Information

Calcium lactate gluconate

See also: Calcium Cation (has active moiety).

CAS Number	11116-97-5
PubChem CID	91663257
IUPAC Name	pentacalcium;hexakis(2-hydroxypropanoate);tetrakis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate);dihydrate
Molecular Formula	C42H78Ca5O48
Molecular Weight	1551.4
Topological Polar Surface Area	929
Hydrogen Bond Donor Count	28
Hydrogen Bond Acceptor Count	48
Rotatable Bond Count	16
Heavy Atom Count	95
Formal Charge	0
Complexity	218

SMILES

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

InChI

InChI=1S/4C6H12O7.6C3H6O3.5Ca.2H2O/c4*7-1-2(8)3(9)4(10)5(11)6(12)13;6*1-2(4)3(5)6;;;;;;;/h4*2-5,7-11H,1H2,(H,12,13);6*2,4H,1H3,(H,5,6);;;;;;2*1H2/q;;;;;;;;;;5*+2;;/p-10/t4*2-,3-,4+,5-;;;;;;;;;;;;;/m1111............./s1

InChIKey

LVJCJXCOPLJXCU-SHQGLIOGSA-D

Chemical Structure

2D Structure

CAS: 11116-97-5

CID: 91663257

Formula: C42H78Ca5O48

MW: 1551.4

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	1551.4
Hydrogen Bond Donor Count	28
Hydrogen Bond Acceptor Count	48
Rotatable Bond Count	16
Exact Mass	1550.179208
Monoisotopic Mass	1550.179208
Topological Polar Surface Area	929 Å²
Heavy Atom Count	95
Formal Charge	0
Complexity	218
Isotope Atom Count	0
Defined Atom Stereocenter Count	16
Undefined Atom Stereocenter Count	6
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	17
Compound Is Canonicalized	Yes

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Catalog	Name
OR931348	Calcium lactate gluconate
443798-01	Calcium Lactate Gluconate (Mixture)
412236	Calcium Gluconate
BUP19860	Gluconate Calcium
HY-B1092-01	Gluconate (Calcium)
90005116	Calcium gluconate anhydrous
40300024-1	Calcium D-Gluconate
GTR19192176	Calcium gluconate monohydrate

Calcium lactate gluconate

Chemical Information

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