AG003P23

527-09-3 | Copper(II) gluconate

AG003P23

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CAS Number	527-09-3
Catalog Number	AG003P23(AGN-PC-0SDGUJ)
Chemical Name	Copper(II) gluconate
EC Number	208-408-2
IUPAC Name	copper;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
InChI	InChI=1S/2C6H12O7.Cu/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
InChI Key	OCUCCJIRFHNWBP-IYEMJOQQSA-L
MDL Number	MFCD00075297
Molecular Formula	C12H22CuO14
Molecular Weight	453.8407
SMILES	O[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)C([O-])=O.O[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)C([O-])=O.[Cu+2]
UNII	RV823G6G67
Synonyms	Copper Gluconate, Gluconate, Copper, Gluconates, Copper gluconate, 527-09-3, Copper(II) gluconate, Copper di-D-gluconate, CUPRIC GLUCONATE, Copper(II)gluconate, UNII-RV823G6G67, Copper gluconate [USP], Copper(II) (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate, RV823G6G67, Copper gluconate (USP), Cupric gluconate monohydrate, Copper, bis(D-gluconato)-, Copper D-gluconate (1:2), CCRIS 3652, Copper(II) D-gluconate, HSDB 261, Bis(D-gluconato-O1,O2)copper, copper (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate, Gluconic acid, copper(2+) salt, Gluconates, Copper, bis(D-gluconato-O1,O2)-, EINECS 208-408-2, Copper(2+) D-gluconate, (1:2), Gluconic Acid Copper(II) Salt, Bis(D-gluconato)copper, Gluconic acid, copper(2+) salt (2:1), D-, Chelates of copper gluconate, Copper, bis(D-gluconato-kappaO1,kappaO2)-, Gluconic acid, copper(2+) salt (2:1) D-, Copper, bis (D-gluconato-O(sup 1),O(sup 2))-, AC1L1VQQ, D-Gluconicacidcopper(II)salt, SCHEMBL23076, Copper Gluconate 14% 40M, CHEBI:31431, KS-00000WNP, Copper,bis(D-gluconato-kO1,kO2)-, AKOS015901520, DB11246, OR51982, AN-45570, AS-14692, FT-0632297, G0275, C12278, D02395, I14-13916, Gluconate, Copper, Copper di- D- gluconate, Copper(II) D-gluconate 50g, C12H22CuO14, Bis(D-gluconato-?O1,?O2)copper, C12-H22-Cu-O14, CID10692, Cobre, bis(D-gluconato-?O1,?O2)-, Copper, bis(D-gluconato-.kappa.O1,.kappa.O2)-, D005942, Gluconic acid copper(II) salt, 98% - 100G 100g,

Complexity	165
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	8
Defined Bond Stereocenter Count	0
Exact Mass	453.031g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	14
Hydrogen Bond Donor Count	10
Isotope Atom Count	0
Molecular Weight	453.84g/mol
Monoisotopic Mass	453.031g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	283A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332
Packing Group
Precautionary statements	P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P501
UN Code

Certificate of Analysis

Lot Number