AG00DEOU

490-83-5 | (5R)-5-[(1S)-1,2-dihydroxyethyl]oxolane-2,3,4-trione

AG00DEOU

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CAS Number	490-83-5
Catalog Number	AG00DEOU(AGN-PC-0S1O4F)
Chemical Name	(5R)-5-[(1S)-1,2-dihydroxyethyl]oxolane-2,3,4-trione
EC Number	207-720-6
IUPAC Name	(5R)-5-[(1S)-1,2-dihydroxyethyl]oxolane-2,3,4-trione
InChI	InChI=1S/C6H6O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-8H,1H2/t2-,5+/m0/s1
InChI Key	SBJKKFFYIZUCET-JLAZNSOCSA-N
MDL Number	MFCD00066467
Molecular Formula	C6H6O6
Molecular Weight	174.1082
SMILES	O=C1C([C@]([C@@H](O)CO)([H])OC1=O)=O
UNII	Y2Z3ZTP9UM
Synonyms	Acid, Dehydroascorbic, Dehydroascorbic Acid, DEHYDROASCORBIC ACID, 490-83-5, L-Dehydroascorbic acid, DHAA, Oxidized ascorbic acid, Oxidized vitamin C, dehydroascorbate, Dehydro-L-ascorbic acid, L-Dehydroascorbate, L-Threo-hexo-2,3-diulosono-1,4-lactone, UNII-Y2Z3ZTP9UM, L-threo-2,3-Hexodiulosonic acid, gamma-lactone, BIS-DEHYDRO-L-ASCORBIC ACID, L-Dehydro Ascorbic Acid, Y2Z3ZTP9UM, CHEBI:27956, (5R)-5-[(1S)-1,2-dihydroxyethyl]oxolane-2,3,4-trione, (5R)-5-[(1S)-1,2-dihydroxyethyl]furan-2,3,4(5H)-trione, (5R)-5-[(1S)-1,2-bis(oxidanyl)ethyl]oxolane-2,3,4-trione, L-Ascorbic acid, dehydro-, gamma-lactone, EINECS 207-720-6, Dehydro-L-Ascorbinsaure, (L)-Dehydroascorbic acid, Dehydroascorbic Acid; DHA, Epitope ID:194981, L-threo-Dehydroascorbic acid, SCHEMBL66326, Bis(dehydro-L-ascorbic acid), AC1L99Q6, AC1Q77S5, GTPL4733, BIB6039, SBJKKFFYIZUCET-JLAZNSOCSA-N, ZX-AFC000298, ZINC1532648, MFCD00066467, AKOS027470272, API0002238, DB08830, FCH3963658, CJ-24228, HY-110281, L-threo-2,3-Hexodiulosonic acid ?-lactone, CS-0033149, FT-0607694, L-threo-2,3-Hexodiulosonic acid, g-lactone, X2154, C05422, A827655, Dehydro-L-(+)-ascorbic acid dimer, >=80% (enzymatic), (R)-5-((S)-1,2-dihydroxyethyl)furan-2,3,4(5H)-trione, F34401D0-9CF1-428F-ACB9-26935446580D, (5R)-5-[(1S)-1,2-dihydroxyethyl]furan-2,3,4(5H)-trione (non-preferred name), Bis-DHA, Acid, Dehydroascorbic, DEHYDROASCORBICACID, D0Q0XE, C6H6O6, L-threo-2,3-hexodiulosonic acid, C6-H6-O6, Dehydro-L-(+)-ascorbic acid dimer, CID440667, L-threo-2,3-Hexodiulosonic acid gamma-lactone, D003683, L-threo-2,3-Hexodiulosonic acid, .gamma.-lactone, 72691-25-9, DHA,

Complexity	244
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	174.016g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	174.108g/mol
Monoisotopic Mass	174.016g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	101A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P264-P270-P301+P312+P330-P501
UN Code

Certificate of Analysis

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