Home Aminos β-D-Glucopyranoside, octyl 2-(acetylamino)-2-deoxy-

β-D-Glucopyranoside, octyl 2-(acetylamino)-2-deoxy-

CAS No.:
147126-58-7
Catalog Number:
AG001EMO
Molecular Formula:
C16H31NO6
Molecular Weight:
333.4204
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Product Description
Catalog Number:
AG001EMO
Chemical Name:
β-D-Glucopyranoside, octyl 2-(acetylamino)-2-deoxy-
CAS Number:
147126-58-7
Molecular Formula:
C16H31NO6
Molecular Weight:
333.4204
MDL Number:
MFCD04039658
IUPAC Name:
N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-octoxyoxan-3-yl]acetamide
InChI:
InChI=1S/C16H31NO6/c1-3-4-5-6-7-8-9-22-16-13(17-11(2)19)15(21)14(20)12(10-18)23-16/h12-16,18,20-21H,3-10H2,1-2H3,(H,17,19)/t12-,13-,14-,15-,16-/m1/s1
InChI Key:
JXLKQDFJNOXCNT-OXGONZEZSA-N
SMILES:
CCCCCCCCO[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1NC(=O)C)O)O
Properties
Complexity:
341  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
333.215g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
333.425g/mol
Monoisotopic Mass:
333.215g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties