97635-34-2 Purity
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The molecular formula of Sorbitan monoisohexadecanoate is C22H42O6.
The molecular weight of Sorbitan monoisohexadecanoate is 402.6 g/mol.
The IUPAC name of Sorbitan monoisohexadecanoate is [(1R)-1-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] 14-methylpentadecanoate.
The InChI of Sorbitan monoisohexadecanoate is InChI=1S/C22H42O6/c1-17(2)13-11-9-7-5-3-4-6-8-10-12-14-20(25)28-19(15-23)22-21(26)18(24)16-27-22/h17-19,21-24,26H,3-16H2,1-2H3/t18-,19+,21+,22+/m0/s1.
The InChIKey of Sorbitan monoisohexadecanoate is IFBVBIINWZIPMK-YVNJGZBMSA-N.
The canonical SMILES of Sorbitan monoisohexadecanoate is CC(C)CCCCCCCCCCCCC(=O)OC(CO)C1C(C(CO1)O)O.
The isomeric SMILES of Sorbitan monoisohexadecanoate is CC(C)CCCCCCCCCCCCC(=O)O[C@H](CO)[C@@H]1[C@@H]([C@H](CO1)O)O.
The XLogP3-AA value of Sorbitan monoisohexadecanoate is 5.
Sorbitan monoisohexadecanoate has 3 hydrogen bond donor counts.
Sorbitan monoisohexadecanoate has 17 rotatable bond counts.
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