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150412-80-9 | β-D-Glucopyranoside, 4-methoxyphenyl 4-O-β-D-galactopyranosyl-
CAS No: 150412-80-9 Catalog No: AG001ML8 MDL No:
Product Description
Catalog Number:
AG001ML8
Chemical Name:
β-D-Glucopyranoside, 4-methoxyphenyl 4-O-β-D-galactopyranosyl-
CAS Number:
150412-80-9
Molecular Formula:
C19H28O12
Molecular Weight:
448.4184
IUPAC Name:
(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(4-methoxyphenoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
InChI:
InChI=1S/C19H28O12/c1-27-8-2-4-9(5-3-8)28-18-16(26)14(24)17(11(7-21)30-18)31-19-15(25)13(23)12(22)10(6-20)29-19/h2-5,10-26H,6-7H2,1H3/t10-,11-,12+,13+,14-,15-,16-,17-,18-,19+/m1/s1
InChI Key:
PJFQMORRZLJWQE-BAGUKLQFSA-N
SMILES:
OC[C@H]1O[C@@H](Oc2ccc(cc2)OC)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O)O)O
Properties
Complexity:
544
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
10
Defined Bond Stereocenter Count:
0
Exact Mass:
448.158g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
448.421g/mol
Monoisotopic Mass:
448.158g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
188A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.9
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