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113467-48-4 | Dodecanamide, N-[2-[[(2S)-2-amino-3-methyl-1-oxobutyl]amino]-2-deoxy-β-D-glucopyranosyl]-N-octadecyl-
CAS No: 113467-48-4 Catalog No: AG0008P2 MDL No:
Product Description
Catalog Number:
AG0008P2
Chemical Name:
Dodecanamide, N-[2-[[(2S)-2-amino-3-methyl-1-oxobutyl]amino]-2-deoxy-β-D-glucopyranosyl]-N-octadecyl-
CAS Number:
113467-48-4
Molecular Formula:
C41H81N3O6
Molecular Weight:
712.0983
IUPAC Name:
N-[(2R,3R,4R,5S,6R)-3-[[(2S)-2-amino-3-methylbutanoyl]amino]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N-octadecyldodecanamide
InChI:
InChI=1S/C41H81N3O6/c1-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-44(35(46)30-28-26-24-22-14-12-10-8-6-2)41-37(43-40(49)36(42)33(3)4)39(48)38(47)34(32-45)50-41/h33-34,36-39,41,45,47-48H,5-32,42H2,1-4H3,(H,43,49)/t34-,36+,37-,38-,39-,41-/m1/s1
InChI Key:
GXERNIKGQVAWMB-YAUDAOCLSA-N
SMILES:
CCCCCCCCCCCCCCCCCCN([C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1NC(=O)[C@H](C(C)C)N)O)O)C(=O)CCCCCCCCCCC
Properties
Complexity:
830
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
711.613g/mol
Formal Charge:
0
Heavy Atom Count:
50
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
712.114g/mol
Monoisotopic Mass:
711.613g/mol
Rotatable Bond Count:
32
Topological Polar Surface Area:
145A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12
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