AG00IBEZ

6485-39-8 | {[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]oxy}manganio (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate

AG00IBEZ

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CAS Number	6485-39-8
Catalog Number	AG00IBEZ(AGN-PC-0TE6CS)
Chemical Name	{[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]oxy}manganio (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
IUPAC Name	manganese(2+);(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
InChI	InChI=1S/2C6H12O7.Mn/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	OXHQNTSSPHKCPB-IYEMJOQQSA-L
MDL Number	MFCD00867656
Molecular Formula	C12H22MnO14
Molecular Weight	445.2327
SMILES	OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O[Mn]OC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
UNII	7G09WJ8QIR
Synonyms	boron gluconate, D-gluconate, D-gluconic acid, dextronic acid, gluconate, gluconic acid, gluconic acid, (113)indium-labeled, gluconic acid, (14)C-labeled, gluconic acid, (159)dysprosium-labeled salt, gluconic acid, (99)technecium (5+) salt, gluconic acid, 1-(14)C-labeled, gluconic acid, 6-(14)C-labeled, gluconic acid, aluminum (3:1) salt, gluconic acid, ammonium salt, gluconic acid, calcium salt, gluconic acid, cesium(+3) salt, gluconic acid, cobalt (2:1) salt, gluconic acid, copper salt, gluconic acid, Fe(+2) salt, dihydrate, gluconic acid, lanthanum(+3) salt, gluconic acid, magnesium (2:1) salt, gluconic acid, manganese (2:1) salt, gluconic acid, monolithium salt, gluconic acid, monopotassium salt, gluconic acid, monosodium salt, gluconic acid, potassium salt, gluconic acid, sodium salt, gluconic acid, strontium (2:1) salt, gluconic acid, tin(+2) salt, gluconic acid, zinc salt, lithium gluconate, magnerot, magnesium gluconate, maltonic acid, manganese gluconate, pentahydroxycaproic acid, sodium gluconate, zinc gluconate, MANGANESE GLUCONATE, Manganese D-gluconate, Manganese(II) gluconate, 6485-39-8, UNII-7G09WJ8QIR, CCRIS 3942, HSDB 1225, Bis(D-gluconato-O1,O2)manganese, EINECS 229-350-4, Manganese, bis(D-gluconato-O1,O2)-, (T-4)-, Gluconic acid, manganese salt (2:1), 7G09WJ8QIR, D-Gluconic acid, manganese salt (2:1), Manganese D-gluconate (1:2), Manganese gluconate [USP], Bis(D-gluconato-O(sup 1),O(sup 2)) manganese, Manganese, bis(D-gluconato-O1,O2)-, (beta-4)-, C12H22MnO14, AC1L2LFF, 3632-91-5, SCHEMBL208644, AKOS015901565, Carbonic acid bis(1-methylethyl) ester, AN-20062, AS-14798, M633, SC-43910, LS-179912, FT-0630350, bis(D-gluconato-?O1,?O2)-,(T-4)-Manganese, I14-13923, UNII-9YY2F980SV component OXHQNTSSPHKCPB-IYEMJOQQSA-L, manganous (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate, manganese(2+); (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate, Guna-allergy-prev, Manganous gluconate, Bis-2-propyl carbonate, C12-H22-Mn-O14, CID22988, Bis(D- gluconato- O1, O2)manganese, Manganese Gluconate Dihydrate extra pure 1kg, Manganese, bis(D-gluconato-.kappa.O1,.kappa.O2)-, (T-4)-,

Complexity	165
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	8
Defined Bond Stereocenter Count	0
Exact Mass	445.039g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	14
Hydrogen Bond Donor Count	10
Isotope Atom Count	0
Molecular Weight	445.232g/mol
Monoisotopic Mass	445.039g/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	H319
Packing Group
Precautionary statements	P264-P280-P305+P351+P338-P337+P313
UN Code

Certificate of Analysis

Lot Number