Cas no 51938-44-4 (Sorbitan,octadecanoate (2:3))
Sorbitan,octadecanoate (2:3) structure
Product Name:Sorbitan,octadecanoate (2:3)
CAS No:51938-44-4
MF:C54H108O19
MW:1061.42394065857
CID:371457
PubChem ID:171093
Update Time:2025-04-19
Sorbitan,octadecanoate (2:3) Chemical and Physical Properties
Names and Identifiers
-
- Sorbitan,octadecanoate (2:3)
- octadecanoic acid - (4xi)-1,4-anhydro-D-xylo-hexitol (2:3)
- Stearic acid, sorbitan ester (3:2)
- 51938-44-4
- UNII-QDQ11AXU3Z
- EINECS 257-529-7
- Sorbitan, octadecanoate (2:3)
- (3R,4S)-2-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol;octadecanoic acid
- QDQ11AXU3Z
-
- Inchi： 1S/2C18H36O2.3C6H12O5/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;3*7-1-3(8)6-5(10)4(9)2-11-6/h2*2-17H2,1H3,(H,19,20);3*3-10H,1-2H2/t;;3*3-,4+,5-,6?/m..111/s1
- InChI Key： PAFJZWHXMSQJKV-UQZRNVAESA-N
- SMILES： O1C[C@@H]([C@H](C1[C@@H](CO)O)O)O.O1C[C@@H]([C@H](C1[C@@H](CO)O)O)O.O1C[C@@H]([C@H](C1[C@@H](CO)O)O)O.OC(CCCCCCCCCCCCCCCCC)=O.OC(CCCCCCCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 1060.748481
- Monoisotopic Mass: 1060.748481
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 14
- Hydrogen Bond Acceptor Count: 19
- Heavy Atom Count: 73
- Rotatable Bond Count: 38
- Complexity: 330
- Covalently-Bonded Unit Count: 5
- Defined Atom Stereocenter Count: 9
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 345
Experimental Properties
- Boiling Point: 359.4°Cat760mmHg
- Flash Point: 162.4°C
Sorbitan,octadecanoate (2:3) Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
-
Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
51938-44-4 (Sorbitan,octadecanoate (2:3)) Related Products
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