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114967-51-0 | β-D-Glucopyranoside, 1-methylethyl 2,3,4,6-tetrakis-O-(phenylmethyl)-
CAS No: 114967-51-0 Catalog No: AG000FHW MDL No:
Product Description
Catalog Number:
AG000FHW
Chemical Name:
β-D-Glucopyranoside, 1-methylethyl 2,3,4,6-tetrakis-O-(phenylmethyl)-
CAS Number:
114967-51-0
Molecular Formula:
C37H42O6
Molecular Weight:
582.7258
IUPAC Name:
(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-propan-2-yloxyoxane
InChI:
InChI=1S/C37H42O6/c1-28(2)42-37-36(41-26-32-21-13-6-14-22-32)35(40-25-31-19-11-5-12-20-31)34(39-24-30-17-9-4-10-18-30)33(43-37)27-38-23-29-15-7-3-8-16-29/h3-22,28,33-37H,23-27H2,1-2H3/t33-,34-,35+,36-,37-/m1/s1
InChI Key:
FASXBSZVQKGFRE-KHKVHWIZSA-N
SMILES:
CC(O[C@@H]1O[C@H](COCc2ccccc2)[C@H]([C@@H]([C@H]1OCc1ccccc1)OCc1ccccc1)OCc1ccccc1)C
Properties
Complexity:
723
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
582.298g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
582.737g/mol
Monoisotopic Mass:
582.298g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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