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14581-81-8 | β-D-Glucopyranoside, 4-methoxyphenyl, 2,3,4,6-tetraacetate
CAS No: 14581-81-8 Catalog No: AG001DG8 MDL No:MFCD06797142
Product Description
Catalog Number:
AG001DG8
Chemical Name:
β-D-Glucopyranoside, 4-methoxyphenyl, 2,3,4,6-tetraacetate
CAS Number:
14581-81-8
Molecular Formula:
C21H26O11
Molecular Weight:
454.4245
MDL Number:
MFCD06797142
IUPAC Name:
[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-(4-methoxyphenoxy)oxan-2-yl]methyl acetate
InChI:
InChI=1S/C21H26O11/c1-11(22)27-10-17-18(28-12(2)23)19(29-13(3)24)20(30-14(4)25)21(32-17)31-16-8-6-15(26-5)7-9-16/h6-9,17-21H,10H2,1-5H3/t17-,18-,19+,20-,21-/m1/s1
InChI Key:
RPHXBVOPPUTUES-YMQHIKHWSA-N
SMILES:
COc1ccc(cc1)O[C@@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C
Properties
Complexity:
671
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
454.148g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
454.428g/mol
Monoisotopic Mass:
454.148g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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