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141364-80-9 | Hexadecanamide, N-[2,3,4-trihydroxy-1-(hydroxymethyl)heptadecyl]- (9CI)
CAS No: 141364-80-9 Catalog No: AG001GB9 MDL No:
Product Description
Catalog Number:
AG001GB9
Chemical Name:
Hexadecanamide, N-[2,3,4-trihydroxy-1-(hydroxymethyl)heptadecyl]- (9CI)
CAS Number:
141364-80-9
Molecular Formula:
C34H69NO5
Molecular Weight:
571.9154
IUPAC Name:
N-(1,3,4,5-tetrahydroxyoctadecan-2-yl)hexadecanamide
InChI:
InChI=1S/C34H69NO5/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-32(38)35-30(29-36)33(39)34(40)31(37)27-25-23-21-19-17-14-12-10-8-6-4-2/h30-31,33-34,36-37,39-40H,3-29H2,1-2H3,(H,35,38)
InChI Key:
ZMQRUGJRPFLTGX-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCC(=O)NC(C(C(C(CCCCCCCCCCCCC)O)O)O)CO
Properties
Complexity:
533
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
571.518g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
571.928g/mol
Monoisotopic Mass:
571.518g/mol
Rotatable Bond Count:
31
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
11.1
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