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148347-40-4 | Octadecanamide, N-[(1S,2R,3E)-1-[(α-D-galactopyranosyloxy)methyl]-2-hydroxy-3-heptadecen-1-yl]-
CAS No: 148347-40-4 Catalog No: AG001FME MDL No:
Product Description
Catalog Number:
AG001FME
Chemical Name:
Octadecanamide, N-[(1S,2R,3E)-1-[(α-D-galactopyranosyloxy)methyl]-2-hydroxy-3-heptadecen-1-yl]-
CAS Number:
148347-40-4
Molecular Formula:
C42H81NO8
Molecular Weight:
728.0944
IUPAC Name:
N-[3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-4-en-2-yl]octadecanamide
InChI:
InChI=1S/C42H81NO8/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-38(46)43-35(34-50-42-41(49)40(48)39(47)37(33-44)51-42)36(45)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h29,31,35-37,39-42,44-45,47-49H,3-28,30,32-34H2,1-2H3,(H,43,46)
InChI Key:
YMYQEDCYNANIPI-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCC(=O)N[C@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)CO[C@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O
Properties
Complexity:
814
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
727.596g/mol
Formal Charge:
0
Heavy Atom Count:
51
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
728.109g/mol
Monoisotopic Mass:
727.596g/mol
Rotatable Bond Count:
35
Topological Polar Surface Area:
149A^2
Undefined Atom Stereocenter Count:
7
Undefined Bond Stereocenter Count:
1
XLogP3:
12.4
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