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177602-14-1

177602-14-1 | Hexacosanoic acid, 26-hydroxy-, 2,3-dihydroxypropyl ester

CAS No: 177602-14-1 Catalog No: AG0025EM MDL No:MFCD20274741

Product Description

Catalog Number:
AG0025EM
Chemical Name:
Hexacosanoic acid, 26-hydroxy-, 2,3-dihydroxypropyl ester
CAS Number:
177602-14-1
Molecular Formula:
C29H58O5
Molecular Weight:
486.7678
MDL Number:
MFCD20274741
IUPAC Name:
2,3-dihydroxypropyl 26-hydroxyhexacosanoate
InChI:
InChI=1S/C29H58O5/c30-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-29(33)34-27-28(32)26-31/h28,30-32H,1-27H2
InChI Key:
APLJPCNYUIMBNB-UHFFFAOYSA-N
SMILES:
OCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CO)O

Properties

Complexity:
402  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
486.428g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
486.778g/mol
Monoisotopic Mass:
486.428g/mol
Rotatable Bond Count:
29  
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
10.2  

Literature

Title Journal
Antioxidant Properties of the Methanol Extract of the Wood and Pericarp of Caesalpinia decapetala. Journal of young pharmacists : JYP 20100101
Rourinoside and rouremin, antimalarial constituents from Rourea minor. Phytochemistry 20060701

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