Cas no 84309-54-6 (Sorbitan, mono((Z,Z,Z)-9,12,15-octadecatrienoate))
84309-54-6 structure
Product Name:Sorbitan, mono((Z,Z,Z)-9,12,15-octadecatrienoate)
CAS No:84309-54-6
MF:C24H40O6
MW:424.570808410645
CID:723112
PubChem ID:44148461
Update Time:2025-04-19
Sorbitan, mono((Z,Z,Z)-9,12,15-octadecatrienoate) Chemical and Physical Properties
Names and Identifiers
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- Sorbitan, mono((Z,Z,Z)-9,12,15-octadecatrienoate)
- Sorbitan, mono[(Z,Z,Z)-9,12,15-octadecatrienoate]
- 84309-54-6
- EINECS 282-711-8
-
- Inchi： 1S/C24H40O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)30-21(18-25)24-23(28)20(26)19-29-24/h3-4,6-7,9-10,20-21,23-26,28H,2,5,8,11-19H2,1H3/b4-3-,7-6-,10-9-/t20-,21+,23+,24?/m0/s1
- InChI Key： UUVSUFIFJFBJJG-KSIWKAJXSA-N
- SMILES： O1C[C@@H]([C@H](C1[C@@H](CO)OC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O)O)O
Computed Properties
- Exact Mass: 424.28248899g/mol
- Monoisotopic Mass: 424.28248899g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 30
- Rotatable Bond Count: 17
- Complexity: 528
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 3
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.1
- Topological Polar Surface Area: 96.2?2
Sorbitan, mono((Z,Z,Z)-9,12,15-octadecatrienoate) Related Literature
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Nduka Ikpo,Jenna C. Flogeras,Francesca M. Kerton Dalton Trans., 2013,42, 8998-9006
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
84309-54-6 (Sorbitan, mono((Z,Z,Z)-9,12,15-octadecatrienoate)) Related Products
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- 15818-46-9(1,3-Glyceryl Dilinoleate (>80%))
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