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(2R)-2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl octadec-9-enoate
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ChemBase ID:
155798
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Molecular Formular:
C24H44O6
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Molecular Mass:
428.60256
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Monoisotopic Mass:
428.31378913
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SMILES and InChIs
SMILES:
CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H]([C@@H]1[C@@H]([C@H](CO1)O)O)O
Canonical SMILES:
CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H]([C@H]1OC[C@@H]([C@H]1O)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/t20-,21+,23+,24+/m0/s1
InChIKey:
NWGKJDSIEKMTRX-XWVZOOPGSA-N
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Cite this record
CBID:155798 http://www.chembase.cn/molecule-155798.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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(2R)-2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl octadec-9-enoate
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IUPAC Traditional name
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(2R)-2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl octadec-9-enoate
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Synonyms
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Mannide monooleate
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Span® 80
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Sorbitan monooleate
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Span® 80
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Sorbitan monooleate
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司盘® 80
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单油酸脱水山梨糖醇酯
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单油酸脱水山梨糖醇酯
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司盘® 80
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CAS Number
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EC Number
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MDL Number
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MFCD03840565
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MFCD00080948
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Beilstein Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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12.746294
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H Acceptors
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5
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H Donor
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3
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LogD (pH = 5.5)
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4.8799543
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LogD (pH = 7.4)
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4.8799524
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Log P
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4.8799543
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Molar Refractivity
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118.8035 cm3
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Polarizability
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47.28733 Å3
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Polar Surface Area
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96.22 Å2
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Rotatable Bonds
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19
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Lipinski's Rule of Five
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true
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DETAILS
DETAILS
Sigma Aldrich
Sigma Aldrich -
M8819
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Application A non-ionic surface active emulsifier. Biochem/physiol Actions An emulsifying agent utilized in Freund′s incomplete adjuvant, although reactogenicity is an issue with human use. Packaging 2.5 kg in glass bottle 25, 500 g in glass bottle |
Sigma Aldrich -
09569
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Application A non-ionic surfactant that can be used to form oil-in-water emulsions and in combination with low HLB surfactants can form water-in-oil emulsions. EPA approved oil spill dispersant. Legal Information Span is a registered trademark of Croda International PLC |
Sigma Aldrich -
85548
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Application A non-ionic surfactant that can be used to form oil-in-water emulsions and in combination with low HLB surfactants can form water-in-oil emulsions. EPA approved oil spill dispersant. Legal Information Span is a registered trademark of Croda International PLC |
Sigma Aldrich -
28-4840
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Legal Information Span is a registered trademark of Croda International PLC |
PATENTS
PATENTS
PubChem Patent
Google Patent