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138906-43-1 | β-D-Glucopyranoside, 4-methoxyphenyl 2-deoxy-2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-4,6-O-[(R)-phenylmethylene]-
CAS No: 138906-43-1 Catalog No: AG0019SI MDL No:MFCD06797124
Product Description
Catalog Number:
AG0019SI
Chemical Name:
β-D-Glucopyranoside, 4-methoxyphenyl 2-deoxy-2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-4,6-O-[(R)-phenylmethylene]-
CAS Number:
138906-43-1
Molecular Formula:
C28H25NO8
Molecular Weight:
503.5000
MDL Number:
MFCD06797124
IUPAC Name:
2-[(4aR,6S,7R,8R,8aS)-8-hydroxy-6-(4-methoxyphenoxy)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]isoindole-1,3-dione
InChI:
InChI=1S/C28H25NO8/c1-33-17-11-13-18(14-12-17)35-28-22(29-25(31)19-9-5-6-10-20(19)26(29)32)23(30)24-21(36-28)15-34-27(37-24)16-7-3-2-4-8-16/h2-14,21-24,27-28,30H,15H2,1H3/t21-,22-,23-,24-,27?,28-/m1/s1
InChI Key:
SHSWKRFHEJOKLK-XSVWMRDFSA-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)O)c1ccccc1
Properties
Complexity:
801
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
503.158g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
503.507g/mol
Monoisotopic Mass:
503.158g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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