AG003LOE

144985-19-3 | 4-Methoxyphenyl 3-o-allyl-beta-d-galactopyranoside

AG003LOE

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CAS Number	144985-19-3
Catalog Number	AG003LOE(AGN-PC-0PWEQF)
Chemical Name	4-Methoxyphenyl 3-o-allyl-beta-d-galactopyranoside
IUPAC Name	(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-methoxyphenoxy)-4-prop-2-enoxyoxane-3,5-diol
InChI	InChI=1S/C16H22O7/c1-3-8-21-15-13(18)12(9-17)23-16(14(15)19)22-11-6-4-10(20-2)5-7-11/h3-7,12-19H,1,8-9H2,2H3/t12-,13+,14-,15+,16-/m1/s1
InChI Key	DXDVGRALJDFCOJ-DGADGQDISA-N
MDL Number	MFCD06797127
Molecular Formula	C16H22O7
Molecular Weight	326.3417
SMILES	COC1=CC=C(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](OCC=C)[C@H]2O)C=C1
Synonyms	144985-19-3, 4-Methoxyphenyl 3-O-Allyl-beta-D-galactopyranoside, 4-Methoxyphenyl 3-O-allyl-b-D-galactopyranoside, DXDVGRALJDFCOJ-DGADGQDISA-N, SCHEMBL7947560, DTXSID20573867, MFCD06797127, ZINC34579768, M1482, X3448, p-Methoxyphenyl 3-O-allyl-beta-D-galactopyranoside, W-201272, I14-106286, 4-Methoxyphenyl 3-O-prop-2-en-1-yl-beta-D-galactopyranoside, C16H22O7, 5'-O-Acetyl-3'-azido-2',3'-dideoxy-N2-palmitoylguanosine,

Complexity	356
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Exact Mass	326.137g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	326.345g/mol
Monoisotopic Mass	326.137g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	97.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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