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128299-96-7 | β-D-Mannopyranoside, octyl, 2,3,4,6-tetraacetate
CAS No: 128299-96-7 Catalog No: AG000XYS MDL No:
Product Description
Catalog Number:
AG000XYS
Chemical Name:
β-D-Mannopyranoside, octyl, 2,3,4,6-tetraacetate
CAS Number:
128299-96-7
Molecular Formula:
C22H36O10
Molecular Weight:
460.5152
IUPAC Name:
[(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-octoxyoxan-2-yl]methyl acetate
InChI:
InChI=1S/C22H36O10/c1-6-7-8-9-10-11-12-27-22-21(31-17(5)26)20(30-16(4)25)19(29-15(3)24)18(32-22)13-28-14(2)23/h18-22H,6-13H2,1-5H3/t18-,19-,20+,21+,22-/m1/s1
InChI Key:
RNGLREVZONTJLS-LXHROKJGSA-N
SMILES:
CCCCCCCCO[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:
620
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
460.231g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
460.52g/mol
Monoisotopic Mass:
460.231g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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