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138906-44-2 | β-D-Glucopyranoside, 4-methoxyphenyl 2-deoxy-2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-3-O-(phenylmethyl)-
CAS No: 138906-44-2 Catalog No: AG0019SH MDL No:
Product Description
Catalog Number:
AG0019SH
Chemical Name:
β-D-Glucopyranoside, 4-methoxyphenyl 2-deoxy-2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-3-O-(phenylmethyl)-
CAS Number:
138906-44-2
Molecular Formula:
C28H27NO8
Molecular Weight:
505.5159
IUPAC Name:
2-[(2S,3R,4R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-(4-methoxyphenoxy)-4-phenylmethoxyoxan-3-yl]isoindole-1,3-dione
InChI:
InChI=1S/C28H27NO8/c1-34-18-11-13-19(14-12-18)36-28-23(29-26(32)20-9-5-6-10-21(20)27(29)33)25(24(31)22(15-30)37-28)35-16-17-7-3-2-4-8-17/h2-14,22-25,28,30-31H,15-16H2,1H3/t22-,23-,24-,25-,28-/m1/s1
InChI Key:
ZWFNEOGZZUQQDV-JWJHGQTKSA-N
SMILES:
OC[C@H]1O[C@@H](Oc2ccc(cc2)OC)[C@@H]([C@H]([C@@H]1O)OCc1ccccc1)N1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
756
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
505.174g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
505.523g/mol
Monoisotopic Mass:
505.174g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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