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Span 80

CAT: 0862-GX5912-1lSize: 1 LDry Ice: NoHazardous: No
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CAT#:0862-GX5912-1lSize:1 L
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1338-43-8
EC Number
215-665-4
MDL Number
MFCD00080948
HS Code
38249992
Molecular Formula
-
Molecular Weight
-
Storage Conditions
+20°C
Hazardous Class
Not hazardous

Chemical Information

Sorbitan mono-(9Z)-9-octadecenoate

Sorbitan monooleate is a fatty acid ester.

CAS Number1338-43-8
PubChem CID9920342
IUPAC Name[(2R)-2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] (Z)-octadec-9-enoate
Molecular FormulaC24H44O6
Molecular Weight428.6
XLogP6
Topological Polar Surface Area96.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count19
Heavy Atom Count30
Formal Charge0
Complexity453
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H]([C@@H]1[C@@H]([C@H](CO1)O)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/b10-9-/t20-,21+,23+,24+/m0/s1
InChIKey
NWGKJDSIEKMTRX-AAZCQSIUSA-N
Chemical Structure
2D Structure
2D structure of Sorbitan mono-(9Z)-9-octadecenoate
CAS: 1338-43-8
CID: 9920342
Formula: C24H44O6
MW: 428.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight428.6
XLogP36
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count19
Exact Mass428.31378912
Monoisotopic Mass428.31378912
Topological Polar Surface Area96.2 Ų
Heavy Atom Count30
Formal Charge0
Complexity453
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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