5, 6- O- (1- Methylethylidene) - L- ascorbic Acid 2- (Hydrogen Sulfate) - CAS 59599-04-1

Catalog:	BB063692
Product Name:	5, 6- O- (1- Methylethylidene) - L- ascorbic Acid 2- (Hydrogen Sulfate)
CAS:	59599-04-1
Synonyms:	rac-(R)-5-((S)-2,2-Dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-2-oxo-2,5-dihydrofuran-3-yl hydrogen sulfate

Technical Data

IUPAC Name:	[(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-5-oxo-2H-furan-4-yl] hydrogen sulfate
Description:	5, 6- O- (1- Methylethylidene) - L- ascorbic Acid 2- (Hydrogen Sulfate) is an intermediate in the synthesis of L-threo-Hex- 2- enaric acid 1, 4-Lactone (H294830), an impurity of L-Ascorbic Acid (A786990) which is a physiological antioxidant.
Molecular Weight:	296.25
Molecular Formula:	C9H12O9S
Canonical SMILES:	CC1(OCC(O1)C2C(=C(C(=O)O2)OS(=O)(=O)O)O)C
InChI:	InChI=1S/C9H12O9S/c1-9(2)15-3-4(17-9)6-5(10)7(8(11)16-6)18-19(12,13)14/h4,6,10H,3H2,1-2H3,(H,12,13,14)/t4-,6+/m0/s1
InChI Key:	OLTQCSRIXROPDF-UJURSFKZSA-N
References:	Al-Meshal, I.A., et al. Anal. Profiles Drug Subs., 11, 45 (1982), Levine, M., et al. N. Engl. J. Med., 314, 892 (1986), Prust, C., et al. Nature Biotech., 23, 195 (2005).

Complexity:	526
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	296.02020313
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	9
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	296.02020313
Rotatable Bond Count:	3
Topological Polar Surface Area:	137Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.9