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Span 40

CAT: 0127-OR1015073Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
26266-57-9
MDL Number
MFCD00080946
Purity
98%
Smiles
CCCCCCCCCCCCCCCC(=O)OCC(O)[C@H]1OC[C@H](O)[C@H]1O

Chemical Information

Span 40

Sorbitan monopalmitate is a fatty acid ester.

CAS Number26266-57-9
PubChem CID16212480
IUPAC Name[(2R)-2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] hexadecanoate
Molecular FormulaC22H42O6
Molecular Weight402.6
XLogP5.8
Topological Polar Surface Area96.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count18
Heavy Atom Count28
Formal Charge0
Complexity389
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H]([C@@H]1[C@@H]([C@H](CO1)O)O)O
InChI
InChI=1S/C22H42O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(25)27-17-19(24)22-21(26)18(23)16-28-22/h18-19,21-24,26H,2-17H2,1H3/t18-,19+,21+,22+/m0/s1
InChIKey
IYFATESGLOUGBX-YVNJGZBMSA-N
Chemical Structure
2D Structure
2D structure of Span 40
CAS: 26266-57-9
CID: 16212480
Formula: C22H42O6
MW: 402.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight402.6
XLogP35.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count18
Exact Mass402.29813906
Monoisotopic Mass402.29813906
Topological Polar Surface Area96.2 Ų
Heavy Atom Count28
Formal Charge0
Complexity389
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes