AG003RU9

3162-96-7 | (4aR,6S,7R,8R,8aS)-6-Methoxy-2-phenylhexahydropyrano[3,2-d][1,3]dioxine-7,8-diol

AG003RU9

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CAS Number	3162-96-7
Catalog Number	AG003RU9(AGN-PC-0R6ZUA)
Chemical Name	(4aR,6S,7R,8R,8aS)-6-Methoxy-2-phenylhexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
EC Number	221-615-2
IUPAC Name	(4aR,6S,7R,8R,8aS)-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
InChI	InChI=1S/C14H18O6/c1-17-14-11(16)10(15)12-9(19-14)7-18-13(20-12)8-5-3-2-4-6-8/h2-6,9-16H,7H2,1H3/t9-,10-,11-,12-,13?,14+/m1/s1
InChI Key	VVSWDMJYIDBTMV-BTZLDLHRSA-N
MDL Number	MFCD00006819
Molecular Formula	C14H18O6
Molecular Weight	282.2891
SMILES	CO[C@@H]1[C@@H]([C@H]([C@@H]2OC(OC[C@H]2O1)C1=CC=CC=C1)O)O
Synonyms	3162-96-7, (4aR,6S,7R,8R,8aS)-6-Methoxy-2-phenylhexahydropyrano[3,2-d][1,3]dioxine-7,8-diol, Methyl 4,6-O-benzylidene-alpha-D-glucopyranoside, Methyl 4,6-O-benzylidene-a-D-glucopyranoside, MFCD00006819, Methyl 4,6-O-benzylidenehexopyranoside #, zlchem 511, Methyl 4,6-O-benzylidene-|A-D-glucopyranoside, Methyl 4,6-O-(Phenylmethylene)-|A-D-glucopyranoside, SCHEMBL37187, BICL4355, Glucopyranoside, methyl 4,6-O-benzylidene-, .alpha.-D-, ZLC0376, VVSWDMJYIDBTMV-BTZLDLHRSA-N, .alpha.-D-Glucopyranoside, methyl 4,6-O-(phenylmethylene)-, NSC 1681, GC9854, AKOS016010174, AK115348, AS-10213, AX8020173, 4,6-Benzylidene-.alpha.-methyl-D-glucoside, FT-0628843, M1125, ST24026290, 4,6-O-Benzylidene-methyl-|A-D-glucopyranoside, K-7452, Methyl-4,6-O-benzylidene-.alpha. D-glucoside, Methyl-4,6-O-benzylidene-|A-D-glucopyranoside, Methyl 4,6-O-benzylidene-.alpha.-D-glucopyranoside, W-202306, (+)-(4,6-O-Benzylidene)methyl-?-D-glucopyranoside, (+)-(4,6-O-Benzylidene)methyl-|A-D-glucopyranoside, 1-O-Methyl-4-O,6-O-benzylidene-alpha-D-glucopyranose, (+)-Methyl-4,6-O-benzylidene-.alpha.-D-glucopyranoside, (+)-(4,6-O-Benzylidene)methyl-.alpha.-D-glucopyranoside, (+)-(4,6-O-Benzylidene)methyl-alpha-D-glucopyranoside, 97%, MBIP, C14H18O6, EINECS 221-615-2, C14-H18-O6, CID11822086, (+)-(4,6-O-Benzylidene)methyl-alpha-D-glucopyranoside, Methyl 4,6-O-benzylidene-alpha-D-glucopyranoside, 98% - 25g 25g,

Complexity	319
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Exact Mass	282.11g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	282.292g/mol
Monoisotopic Mass	282.11g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	77.4A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code

Certificate of Analysis

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