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Home > Indoles and Oxindole > 129575-89-9
129575-89-9 | β-D-Glucopyranoside, 4-methoxyphenyl 2-deoxy-2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-3,6-bis-O-(phenylmethyl)-
CAS No: 129575-89-9 Catalog No: AG000Z8T MDL No:
Product Description
Catalog Number:
AG000Z8T
Chemical Name:
β-D-Glucopyranoside, 4-methoxyphenyl 2-deoxy-2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-3,6-bis-O-(phenylmethyl)-
CAS Number:
129575-89-9
Molecular Formula:
C35H33NO8
Molecular Weight:
595.6384
IUPAC Name:
2-[(2S,3R,4R,5S,6R)-5-hydroxy-2-(4-methoxyphenoxy)-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]isoindole-1,3-dione
InChI:
InChI=1S/C35H33NO8/c1-40-25-16-18-26(19-17-25)43-35-30(36-33(38)27-14-8-9-15-28(27)34(36)39)32(42-21-24-12-6-3-7-13-24)31(37)29(44-35)22-41-20-23-10-4-2-5-11-23/h2-19,29-32,35,37H,20-22H2,1H3/t29-,30-,31-,32-,35-/m1/s1
InChI Key:
QKFDXGIKVGVBGT-PVEIOGNQSA-N
SMILES:
COc1ccc(cc1)O[C@@H]1O[C@H](COCc2ccccc2)[C@H]([C@@H]([C@H]1N1C(=O)c2c(C1=O)cccc2)OCc1ccccc1)O
Properties
Complexity:
904
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
595.221g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
595.648g/mol
Monoisotopic Mass:
595.221g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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