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140615-77-6 | β-D-Glucopyranoside, 4-methoxyphenyl 2-deoxy-2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-3,6-bis-O-(phenylmethyl)-, 4-acetate
CAS No: 140615-77-6 Catalog No: AG001CK5 MDL No:
Product Description
Catalog Number:
AG001CK5
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)-, 4-acetate
CAS Number:
140615-77-6
Molecular Formula:
C37H35NO9
Molecular Weight:
637.6751
IUPAC Name:
[(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-(4-methoxyphenoxy)-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl] acetate
InChI:
InChI=1S/C37H35NO9/c1-24(39)45-33-31(23-43-21-25-11-5-3-6-12-25)47-37(46-28-19-17-27(42-2)18-20-28)32(34(33)44-22-26-13-7-4-8-14-26)38-35(40)29-15-9-10-16-30(29)36(38)41/h3-20,31-34,37H,21-23H2,1-2H3/t31-,32-,33-,34-,37-/m1/s1
InChI Key:
QZTMIUALKXAHCQ-LEWWELECSA-N
SMILES:
COc1ccc(cc1)O[C@@H]1O[C@H](COCc2ccccc2)[C@H]([C@@H]([C@H]1N1C(=O)c2c(C1=O)cccc2)OCc1ccccc1)OC(=O)C
Properties
Complexity:
1010
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
637.231g/mol
Formal Charge:
0
Heavy Atom Count:
47
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
637.685g/mol
Monoisotopic Mass:
637.231g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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