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74581-83-2 molecular structure
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5-hydroperoxyicosa-6,8,11,14-tetraenoic acid

ChemBase ID: 125918
Molecular Formular: C20H32O4
Molecular Mass: 336.46568
Monoisotopic Mass: 336.2300595
SMILES and InChIs

SMILES:
O=C(O)CCCC(OO)/C=C/C=C/C/C=C/C/C=C/CCCCC
Canonical SMILES:
CCCCC/C=C/C/C=C/C/C=C/C=C/C(CCCC(=O)O)OO
InChI:
InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(24-23)17-15-18-20(21)22/h6-7,9-10,12-14,16,19,23H,2-5,8,11,15,17-18H2,1H3,(H,21,22)
InChIKey:
JNUUNUQHXIOFDA-UHFFFAOYSA-N

Cite this record

CBID:125918 http://www.chembase.cn/molecule-125918.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-hydroperoxyicosa-6,8,11,14-tetraenoic acid
IUPAC Traditional name
5-hydroperoxyicosa-6,8,11,14-tetraenoic acid
Synonyms
Arachidonic acid 5-hydroperoxide
CAS Number
74581-83-2
PubChem SID
162220262
PubChem CID
5353349
5280778
Chemspider ID
4446295
MeSH Name
Arachidonic+acid+5-hydroperoxide
Wikipedia Title
Arachidonic_acid_5-hydroperoxide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.390474  H Acceptors
H Donor LogD (pH = 5.5) 4.665315 
LogD (pH = 7.4) 2.9103463  Log P 5.805695 
Molar Refractivity 102.8197 cm3 Polarizability 38.420906 Å3
Polar Surface Area 66.76 Å2 Rotatable Bonds 15 
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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