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28593-92-2 | 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, docosyl ester, (2E)-
CAS No: 28593-92-2 Catalog No: AG002VSO MDL No:MFCD18783095
Product Description
Catalog Number:
AG002VSO
Chemical Name:
2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, docosyl ester, (2E)-
CAS Number:
28593-92-2
Molecular Formula:
C31H52O4
Molecular Weight:
488.7422
MDL Number:
MFCD18783095
IUPAC Name:
docosyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
InChI:
InChI=1S/C31H52O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-35-31(34)25-23-28-22-24-29(32)30(33)27-28/h22-25,27,32-33H,2-21,26H2,1H3/b25-23+
InChI Key:
GUWHMEMJBCLEBP-WJTDDFOZSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCCCOC(=O)/C=C/c1ccc(c(c1)O)O
Properties
Complexity:
504
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
488.387g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
488.753g/mol
Monoisotopic Mass:
488.387g/mol
Rotatable Bond Count:
24
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
13.3
Literature
| Title | Journal |
|---|---|
| Methylenebissantin: a rare methylene-bridged bisflavonoid from Dodonaea viscosa which inhibits Plasmodium falciparum enoyl-ACP reductase. | Bioorganic & medicinal chemistry letters 20120101 |
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