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Sorbitan sesquioleate

CAT: 0024-sc-215896Size: 250 mLDry Ice: NoHazardous: No
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CAT#:0024-sc-215896Size:250 mL
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CAS Number
8007-43-0

Chemical Information

Sorbitan, sesquioleate
CAS Number8007-43-0
PubChem CID6433515
IUPAC Namebis((2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol);tris((Z)-octadec-9-enoic acid)
Molecular FormulaC66H130O18
Molecular Weight1211.7
Topological Polar Surface Area355
Hydrogen Bond Donor Count15
Hydrogen Bond Acceptor Count18
Rotatable Bond Count55
Heavy Atom Count84
Formal Charge0
Complexity338
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)O.CCCCCCCC/C=C\CCCCCCCC(=O)O.CCCCCCCC/C=C\CCCCCCCC(=O)O.C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO.C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO
InChI
InChI=1S/3C18H34O2.2C6H14O6/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2*7-1-3(9)5(11)6(12)4(10)2-8/h3*9-10H,2-8,11-17H2,1H3,(H,19,20);2*3-12H,1-2H2/b3*10-9-;;/t;;;2*3-,4+,5-,6-/m...11/s1
InChIKey
CUNWUEBNSZSNRX-RKGWDQTMSA-N
Chemical Structure
2D Structure
2D structure of Sorbitan, sesquioleate
CAS: 8007-43-0
CID: 6433515
Formula: C66H130O18
MW: 1211.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1211.7
Hydrogen Bond Donor Count15
Hydrogen Bond Acceptor Count18
Rotatable Bond Count55
Exact Mass1210.92571729
Monoisotopic Mass1210.92571729
Topological Polar Surface Area355 Ų
Heavy Atom Count84
Formal Charge0
Complexity338
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count5
Compound Is CanonicalizedYes

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