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162522-32-9 | Octacosanoic acid, 28-hydroxy-, 2,3-dihydroxypropyl ester
CAS No: 162522-32-9 Catalog No: AG001T7W MDL No:
Product Description
Catalog Number:
AG001T7W
Chemical Name:
Octacosanoic acid, 28-hydroxy-, 2,3-dihydroxypropyl ester
CAS Number:
162522-32-9
Molecular Formula:
C31H62O5
Molecular Weight:
514.8210
IUPAC Name:
2,3-dihydroxypropyl 28-hydroxyoctacosanoate
InChI:
InChI=1S/C31H62O5/c32-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-31(35)36-29-30(34)28-33/h30,32-34H,1-29H2
InChI Key:
KGRZWBVWLUKOGX-UHFFFAOYSA-N
SMILES:
OCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CO)O
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
514.46g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
514.832g/mol
Monoisotopic Mass:
514.46g/mol
Rotatable Bond Count:
31
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
11.2
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