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5-hydroperoxyicosa-6,8,11,14-tetraenoic acid
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ChemBase ID:
125918
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Molecular Formular:
C20H32O4
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Molecular Mass:
336.46568
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Monoisotopic Mass:
336.2300595
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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
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Cite this record
CBID:125918 http://www.chembase.cn/molecule-125918.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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5-hydroperoxyicosa-6,8,11,14-tetraenoic acid
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IUPAC Traditional name
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5-hydroperoxyicosa-6,8,11,14-tetraenoic acid
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Synonyms
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Arachidonic acid 5-hydroperoxide
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CAS Number
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PubChem SID
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PubChem CID
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Chemspider ID
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MeSH Name
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Wikipedia Title
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
Data Source
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Data ID
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Price
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CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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4.390474
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H Acceptors
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4
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H Donor
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2
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LogD (pH = 5.5)
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4.665315
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LogD (pH = 7.4)
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2.9103463
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Log P
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5.805695
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Molar Refractivity
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102.8197 cm3
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Polarizability
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38.420906 Å3
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Polar Surface Area
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66.76 Å2
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Rotatable Bonds
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15
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Lipinski's Rule of Five
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false
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
DETAILS
DETAILS
Wikipedia
PATENTS
PATENTS
PubChem Patent
Google Patent