AG003BB4

68539-16-2 | 2,3:4,6-di-O-isopro

AG003BB4

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CAS Number	68539-16-2
Catalog Number	AG003BB4(AGN-PC-0TSWO2)
Chemical Name	2,3:4,6-di-O-isopro
IUPAC Name	(1R,2S,6R,8S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-6-carboxylic acid;hydrate
InChI	InChI=1S/C12H18O7.H2O/c1-10(2)15-5-6-7(17-10)8-12(16-6,9(13)14)19-11(3,4)18-8;/h6-8H,5H2,1-4H3,(H,13,14);1H2/t6-,7+,8-,12+;/m0./s1
InChI Key	ZFQRGFMVXLSLKZ-QCILGFJPSA-N
MDL Number	MFCD00150517
Molecular Formula	C12H20O8
Molecular Weight	292.2824
SMILES	C(O)(=O)[C@]12[C@]([C@]3([C@@](O1)(COC(C)(C)O3)[H])[H])(OC(C)(C)O2)[H].O
Synonyms	68539-16-2, 2,3:4,6-Di-o-isopropylidene-2-keto-L-gulonic acid monohydrate, 60481-94-9, Dikegulac monohydrate, (-)-2,3:4,6-Di-O-isopropylidene-2-keto-L-gulonic acid monohydrate, SCHEMBL2062735, ZFQRGFMVXLSLKZ-QCILGFJPSA-N, (3aS,3bR,7aS,8aR)-2,2,5,5-tetramethyltetrahydro-3aH-[1,3]dioxolo[4',5':4,5]furo[3,2-d][1,3]dioxine-8a-carboxylic acid hydrate, MFCD00150517, AKOS015892738, AN-38042, AS-10325, FT-0604372, I04-140, W-203261, W-203523, 2,3:4,6-Di-O-isopropylidene-2-keto-L-gulonic acid, (-)-2,3:4,6-Di-O-isoproyplidene-2-keto-L-gulonic acid monohydrate, (-)-2,3:4,6-Di-O-isopropylidene-2-keto-L-gulonic acid monohydrate, 98%, (&#8722;)-2,3:4,6-Di-O-isopropylidene-2-keto-<SC>L</SC>-gulonic acid monohydrate, 2-?C-?hydroxy-?2,?3:4,?6-?bis-?O-?(1-?methylethylidene)?-L-?Gulonic acid, a-L-xylo-2-Hexulofuranosonic acid,2,3:4,6-bis-O-(1-methylethylidene)-, hydrate (1:1), (3aR,4aS,8aR,8bS)-2,2,7,7-tetramethyl-4a,5,8a,8b-tetrahydro-[1,3]dioxolo[3,4]furo[1,3-d][1,3]dioxine-3a-carboxylic acid;hydrate, (-)-Diacetone-2-keto-L-gulonic acid monohydrate, 2,3:4,6-Di-O-isopropylidene-2-keto-L-gulonicacidmonohydrate, -L-xylo-2-Hexulofuranosonic acid, 2,3:4,6-bis-O-(1-methylethylidene)-, hydrate (1:1), .alpha.-L-xylo-2-Hexulofuranosonic acid, 2,3:4,6-bis-O-(1-methylethylidene)-, monohydrate, (-)-2,3:4,6-Di-O-isopropylidene-alpha-L-xylo-2-hexulofuranosonic acid monohydrate, 98% - 25G 25g,

Complexity	418
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	292.116g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	292.284g/mol
Monoisotopic Mass	292.116g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	84.4A^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

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