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161744-53-2 | 5,8,11,13-Eicosatetraenamide, 15-hydroxy-N-(2-hydroxyethyl)-, (5Z,8Z,11Z,13E,15S)-
CAS No: 161744-53-2 Catalog No: AG001VUK MDL No:MFCD05864113
Product Description
Catalog Number:
AG001VUK
Chemical Name:
5,8,11,13-Eicosatetraenamide, 15-hydroxy-N-(2-hydroxyethyl)-, (5Z,8Z,11Z,13E,15S)-
CAS Number:
161744-53-2
Molecular Formula:
C22H37NO3
Molecular Weight:
363.5341
MDL Number:
MFCD05864113
IUPAC Name:
(5Z,8Z,11Z,13E,15S)-15-hydroxy-N-(2-hydroxyethyl)icosa-5,8,11,13-tetraenamide
InChI:
InChI=1S/C22H37NO3/c1-2-3-13-16-21(25)17-14-11-9-7-5-4-6-8-10-12-15-18-22(26)23-19-20-24/h4-5,8-11,14,17,21,24-25H,2-3,6-7,12-13,15-16,18-20H2,1H3,(H,23,26)/b5-4-,10-8-,11-9-,17-14+/t21-/m0/s1
InChI Key:
XZQKRCUYLKDPEK-BPVVGZHASA-N
SMILES:
CCCCC[C@@H](/C=C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO)O
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
4
Exact Mass:
363.277g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
363.542g/mol
Monoisotopic Mass:
363.277g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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