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1338-43-8 molecular structure
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2-(3,4-dihydroxyoxolan-2-yl)-2-hydroxyethyl octadec-9-enoate

ChemBase ID: 106080
Molecular Formular: C24H44O6
Molecular Mass: 428.60256
Monoisotopic Mass: 428.31378913
SMILES and InChIs

SMILES:
CCCCCCCC/C=C/CCCCCCCC(=O)OCC(O)C1OCC(O)C1O
Canonical SMILES:
CCCCCCCC/C=C/CCCCCCCC(=O)OCC(C1OCC(C1O)O)O
InChI:
InChI=1S/C24H44O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)29-19-21(26)24-23(28)20(25)18-30-24/h9-10,20-21,23-26,28H,2-8,11-19H2,1H3
InChIKey:
NWGKJDSIEKMTRX-UHFFFAOYSA-N

Cite this record

CBID:106080 http://www.chembase.cn/molecule-106080.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(3,4-dihydroxyoxolan-2-yl)-2-hydroxyethyl octadec-9-enoate
IUPAC Traditional name
2-(3,4-dihydroxyoxolan-2-yl)-2-hydroxyethyl octadec-9-enoate
Synonyms
Span 80
SORBITAN MONOOLEATE
CAS Number
1338-43-8
EC Number
215-665-4
PubChem SID
162092714
PubChem CID
5385498

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
02198996 external link Add to cart Please log in.
Data Source Data ID
PubChem 5385498 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
LogD (pH = 7.4) 4.8799524  Log P 4.8799543 
Molar Refractivity 118.8035 cm3 Polarizability 47.28733 Å3
Polar Surface Area 96.22 Å2 Rotatable Bonds 19 
Lipinski's Rule of Five true  Acid pKa 12.746294 
H Acceptors H Donor
LogD (pH = 5.5) 4.8799543 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Condition
Room Temperature (15-30°C) expand Show data source
RTECS
WG2932400 expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 02198996 external link
Fatty acid composition:
Oliec acid (C18:1) ~75%, balance primarily linoleic (C18:2), linolenic (C18:3) and Palmitic (C16:0) acids.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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