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14679-57-3 | β-D-Glucopyranose, 1,2,3,4,6-pentabenzoate
CAS No: 14679-57-3 Catalog No: AG001EBY MDL No:MFCD00832039
Product Description
Catalog Number:
AG001EBY
Chemical Name:
β-D-Glucopyranose, 1,2,3,4,6-pentabenzoate
CAS Number:
14679-57-3
Molecular Formula:
C41H32O11
Molecular Weight:
700.6862
MDL Number:
MFCD00832039
IUPAC Name:
[(2R,3R,4S,5R,6S)-3,4,5,6-tetrabenzoyloxyoxan-2-yl]methyl benzoate
InChI:
InChI=1S/C41H32O11/c42-36(27-16-6-1-7-17-27)47-26-32-33(49-37(43)28-18-8-2-9-19-28)34(50-38(44)29-20-10-3-11-21-29)35(51-39(45)30-22-12-4-13-23-30)41(48-32)52-40(46)31-24-14-5-15-25-31/h1-25,32-35,41H,26H2/t32-,33-,34+,35-,41+/m1/s1
InChI Key:
JJNMLNFZFGSWQR-WJZQQGDTSA-N
SMILES:
O=C(c1ccccc1)O[C@@H]1[C@@H](COC(=O)c2ccccc2)O[C@H]([C@@H]([C@H]1OC(=O)c1ccccc1)OC(=O)c1ccccc1)OC(=O)c1ccccc1
Properties
Complexity:
1190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
700.194g/mol
Formal Charge:
0
Heavy Atom Count:
52
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
700.696g/mol
Monoisotopic Mass:
700.194g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.9
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