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22393-88-0 molecular structure
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icosyl (9Z)-octadec-9-enoate

ChemBase ID: 132214
Molecular Formular: C38H74O2
Molecular Mass: 562.99296
Monoisotopic Mass: 562.56888161
SMILES and InChIs

SMILES:
CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCC/C=C\CCCCCCCC
Canonical SMILES:
CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCC/C=C\CCCCCCCC
InChI:
InChI=1S/C38H74O2/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-37-40-38(39)36-34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h18,22H,3-17,19-21,23-37H2,1-2H3/b22-18-
InChIKey:
HKJBUPVMFYBSHI-PYCFMQQDSA-N

Cite this record

CBID:132214 http://www.chembase.cn/molecule-132214.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
icosyl (9Z)-octadec-9-enoate
IUPAC Traditional name
icosyl (9Z)-octadec-9-enoate
Synonyms
Oleic acid arachidyl ester
Arachidyl oleate
CAS Number
22393-88-0
EC Number
244-951-1
MDL Number
MFCD00056270
PubChem SID
24898035
162226491
PubChem CID
6436542

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
O6501 external link Add to cart Please log in.
Data Source Data ID
PubChem 6436542 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 15.366691  LogD (pH = 7.4) 15.366691 
Log P 15.366691  Molar Refractivity 179.6609 cm3
Polarizability 71.352196 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds 35  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
liquid expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Storage Temperature
-20°C expand Show data source
Purity
~99% expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - O6501 external link
包装
Sealed ampule.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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