Cas no 71872-98-5 (Sorbitan, mono(12-hydroxy-9-octadecenoate), (R-(Z))-)
71872-98-5 structure
Product Name:Sorbitan, mono(12-hydroxy-9-octadecenoate), (R-(Z))-
CAS No:71872-98-5
MF:C24H44O7
MW:444.601968765259
CID:569208
PubChem ID:44151791
Update Time:2025-04-19
Sorbitan, mono(12-hydroxy-9-octadecenoate), (R-(Z))- Chemical and Physical Properties
Names and Identifiers
-
- Sorbitan, mono(12-hydroxy-9-octadecenoate), (R-(Z))-
- Sorbitan, mono(12-hydroxy-9-octadecenoate), [R-(Z)]-
- EINECS 276-107-3
- 71872-98-5
-
- Inchi： 1S/C24H44O7/c1-2-3-4-11-14-19(26)15-12-9-7-5-6-8-10-13-16-22(28)31-21(17-25)24-23(29)20(27)18-30-24/h9,12,19-21,23-27,29H,2-8,10-11,13-18H2,1H3/b12-9-/t19-,20+,21-,23-,24?/m1/s1
- InChI Key： IAMCQGNFXAISIW-PFPWCKASSA-N
- SMILES： O1C[C@@H]([C@H](C1[C@@H](CO)OC(CCCCCCC/C=C\C[C@@H](CCCCCC)O)=O)O)O
Computed Properties
- Exact Mass: 444.30870374g/mol
- Monoisotopic Mass: 444.30870374g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 31
- Rotatable Bond Count: 19
- Complexity: 483
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.9
- Topological Polar Surface Area: 116?2
Sorbitan, mono(12-hydroxy-9-octadecenoate), (R-(Z))- Related Literature
-
Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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