AG003ONK

5743-28-2 | Ascorbic acid calcium salt dihydrate

AG003ONK

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CAS Number	5743-28-2
Catalog Number	AG003ONK(AGN-PC-0SNR25)
Chemical Name	Ascorbic acid calcium salt dihydrate
IUPAC Name	calcium;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-olate;dihydrate
InChI	InChI=1S/2C6H8O6.Ca.2H2O/c2*7-1-2(8)5-3(9)4(10)6(11)12-5;;;/h2*2,5,7-10H,1H2;;2*1H2/q;;+2;;/p-2/t2*2-,5+;;;/m00.../s1
InChI Key	RGJHWLDSRIHFKY-FWCDDDAWSA-L
MDL Number	MFCD00082341
Molecular Formula	C12H18CaO14
Molecular Weight	426.3409
SMILES	[O-]C([C@H](O1)[C@H](CO)O)=C(O)C1=O.[O-]C([C@H](O2)[C@H](CO)O)=C(O)C2=O.[H]O[H].[H]O[H].[Ca+2]
UNII	183E4W213W
Synonyms	calcium ascorbate, Ester C, CALCIUM ASCORBATE, 5743-28-2, Calcium ascorbate dihydrate, UNII-183E4W213W, Calci-C, Calcium diascorbate, Calcium ascorbate (USP), Calcium ascorbate [USP], Hemicalcium ascorbate, L-(+)-Ascorbic acid calcium salt dihydrate, Calcium L-ascorbate dihydrate, 183E4W213W, Calcium L-ascorbate, Ascorbic acid calcium salt dihydrate, Calcium ascorbate [USAN], AC1NR05V, DSSTox_CID_27687, DSSTox_RID_82503, DSSTox_GSID_47687, CHEMBL3184533, DTXSID3047687, CTK8F0851, Tox21_303536, Acetic acid, calcium salt, dihydrate, NCGC00257476-01, BC205367, SC-19288, CAS-5743-28-2, TR-020049, E 302, FT-0627702, D02293, calcium (5R)-5-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-oxofuran-2-olate dihydrate, Ascorbic acid calcium salt, Calcium ascorbate anhydrous, UNII-J96U0ZD4Y6, CCRIS 7671, HSDB 255, C6H8O6.1/2Ca, C12H14CaO12.2H2O, C6-H8-O6.1/2Ca, EINECS 227-261-5, CID5282496, L-Ascorbic acid, calcium salt (2:1), C12-H14-Ca-O12.2H2-O, L-Ascorbic acid, calcium salt (2:1), dihydrate, 5743-27-1,

Complexity	232
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	5
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	426.032g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	14
Hydrogen Bond Donor Count	8
Isotope Atom Count	0
Molecular Weight	426.34g/mol
Monoisotopic Mass	426.032g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	222A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number