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18031-51-1 | α-D-Glucopyranoside, methyl, 2,3,6-triacetate
CAS No: 18031-51-1 Catalog No: AG0021X1 MDL No:
Product Description
Catalog Number:
AG0021X1
Chemical Name:
α-D-Glucopyranoside, methyl, 2,3,6-triacetate
CAS Number:
18031-51-1
Molecular Formula:
C13H20O9
Molecular Weight:
320.2925
IUPAC Name:
[(2R,3R,4S,5R,6S)-4,5-diacetyloxy-3-hydroxy-6-methoxyoxan-2-yl]methyl acetate
InChI:
InChI=1S/C13H20O9/c1-6(14)19-5-9-10(17)11(20-7(2)15)12(21-8(3)16)13(18-4)22-9/h9-13,17H,5H2,1-4H3/t9-,10-,11+,12-,13+/m1/s1
InChI Key:
SZWIADUEFWYSBL-LBELIVKGSA-N
SMILES:
CO[C@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)O
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
320.111g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
320.294g/mol
Monoisotopic Mass:
320.111g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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