AG002WA8

2872-65-3 | 4-Methoxyphenyl 2,3,4,6-tetra-o-acetyl-beta-d-galactopyranoside

AG002WA8

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CAS Number	2872-65-3
Catalog Number	AG002WA8(AGN-PC-0R4HV2)
Chemical Name	4-Methoxyphenyl 2,3,4,6-tetra-o-acetyl-beta-d-galactopyranoside
IUPAC Name	[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-(4-methoxyphenoxy)oxan-2-yl]methyl acetate
InChI	InChI=1S/C21H26O11/c1-11(22)27-10-17-18(28-12(2)23)19(29-13(3)24)20(30-14(4)25)21(32-17)31-16-8-6-15(26-5)7-9-16/h6-9,17-21H,10H2,1-5H3/t17-,18+,19+,20-,21-/m1/s1
InChI Key	RPHXBVOPPUTUES-XDWAVFMPSA-N
MDL Number	MFCD06797123
Molecular Formula	C21H26O11
Molecular Weight	454.4245
SMILES	COC1=CC=C(O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)O2)C=C1
Synonyms	2872-65-3, (2R,3S,4S,5R,6S)-2-(Acetoxymethyl)-6-(4-methoxyphenoxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate, 4-Methoxyphenyl 2,3,4,6-Tetra-O-acetyl-beta-D-galactopyranoside, 4-Methoxyphenyl 2,3,4,6-tetra-O-acetyl-b-D-galactopyranoside, SCHEMBL7945964, RPHXBVOPPUTUES-XDWAVFMPSA-N, ZINC8739315, 4-METHOXYPHENYL2,3,4,6-TETRA-O-ACETYL-BETA-D-GALACTOPYRANOSIDE, AKOS003631749, MCULE-6482254845, KS-000014I0, AJ-59210, AX8257770, TR-035462, FT-0654017, M1477, W0213, 872M653, W-202200, b-D-Galactopyranoside,4-methoxyphenyl, 2,3,4,6-tetraacetate, 4-Methoxyphenyl-2,3,4,6-tetra-O-acetyl-beta-D-galactopyranoside, p-Anisyl 2-O,3-O,4-O,6-O-tetraacetyl-beta-D-galactopyranoside, p-Methoxyphenyl 2,3,4,6-tetra-O-acetyl-beta-D-galactopyranoside, 4-Methoxyphenyl 2,3,4,6-tetra-O-acetyl-beta-D-galactopyranoside, 97%, C21H26O11, 5-cyclohexylphenylene-1,3-diboronic acid, pinacol ester, 4-Methoxyphenyl-2,3,4,6-tetra-O-acetyl-b-D-galactopyranoside, 1256360-40-3,

Complexity	671
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Exact Mass	454.148g/mol
Formal Charge	0
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	454.428g/mol
Monoisotopic Mass	454.148g/mol
Rotatable Bond Count	12
Topological Polar Surface Area	133A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

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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