Home Aminos β-D-Glucopyranoside, octyl 2-(acetylamino)-2-deoxy-, 3,4,6-triacetate

β-D-Glucopyranoside, octyl 2-(acetylamino)-2-deoxy-, 3,4,6-triacetate

CAS No.:
173725-22-9
Catalog Number:
AG001Z4O
Molecular Formula:
C22H37NO9
Molecular Weight:
459.5305
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Product Description
Catalog Number:
AG001Z4O
Chemical Name:
β-D-Glucopyranoside, octyl 2-(acetylamino)-2-deoxy-, 3,4,6-triacetate
CAS Number:
173725-22-9
Molecular Formula:
C22H37NO9
Molecular Weight:
459.5305
MDL Number:
MFCD08703875
IUPAC Name:
[(2R,3S,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-octoxyoxan-2-yl]methyl acetate
InChI:
InChI=1S/C22H37NO9/c1-6-7-8-9-10-11-12-28-22-19(23-14(2)24)21(31-17(5)27)20(30-16(4)26)18(32-22)13-29-15(3)25/h18-22H,6-13H2,1-5H3,(H,23,24)/t18-,19-,20-,21-,22-/m1/s1
InChI Key:
MKWRBOCGIQFSER-ZGJYDULXSA-N
SMILES:
CCCCCCCCO[C@@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1NC(=O)C)OC(=O)C)OC(=O)C
Properties
Complexity:
625  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
459.247g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
459.536g/mol
Monoisotopic Mass:
459.247g/mol
Rotatable Bond Count:
16  
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties