Octadecanoic acid, (1S)-1-(hydroxymethyl)-1,2-ethanediyl ester


Chemical Name: Octadecanoic acid, (1S)-1-(hydroxymethyl)-1,2-ethanediyl ester
CAS Number: 10567-21-2
Product Number: AG008SNB(AGN-PC-0OV2CR)
Synonyms:
MDL No:
Molecular Formula: C39H76O5
Molecular Weight: 625.0177

Identification/Properties


Computed Properties
Molecular Weight:
625.032g/mol
XLogP3:
16.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
38
Exact Mass:
624.569g/mol
Monoisotopic Mass:
624.569g/mol
Topological Polar Surface Area:
72.8A^2
Heavy Atom Count:
44
Formal Charge:
0
Complexity:
593
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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