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129575-88-8 | β-D-Glucopyranoside, 4-methoxyphenyl 2-deoxy-2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-3-O-(phenylmethyl)-4,6-O-[(R)-phenylmethylene]-
CAS No: 129575-88-8 Catalog No: AG000Z7M MDL No:MFCD06797139
Product Description
Catalog Number:
AG000Z7M
Chemical Name:
β-D-Glucopyranoside, 4-methoxyphenyl 2-deoxy-2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-3-O-(phenylmethyl)-4,6-O-[(R)-phenylmethylene]-
CAS Number:
129575-88-8
Molecular Formula:
C35H31NO8
Molecular Weight:
593.6225
MDL Number:
MFCD06797139
IUPAC Name:
2-[(2R,4aR,6S,7R,8R,8aS)-6-(4-methoxyphenoxy)-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]isoindole-1,3-dione
InChI:
InChI=1S/C35H31NO8/c1-39-24-16-18-25(19-17-24)42-35-29(36-32(37)26-14-8-9-15-27(26)33(36)38)31(40-20-22-10-4-2-5-11-22)30-28(43-35)21-41-34(44-30)23-12-6-3-7-13-23/h2-19,28-31,34-35H,20-21H2,1H3/t28-,29-,30-,31-,34-,35-/m1/s1
InChI Key:
WCCGRDKROUUDBC-JCSKESALSA-N
SMILES:
COc1ccc(cc1)O[C@@H]1O[C@@H]2COC(O[C@H]2[C@@H]([C@H]1N1C(=O)c2c(C1=O)cccc2)OCc1ccccc1)c1ccccc1
Properties
Complexity:
950
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
593.205g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
593.632g/mol
Monoisotopic Mass:
593.205g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
92.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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