Cas no 94031-24-0 (Sucrose heptamyristate)
Sucrose heptamyristate structure
Product Name:Sucrose heptamyristate
CAS No:94031-24-0
MF:C110H204O18
MW:1814.78599834442
CID:810697
PubChem ID:44144736
Update Time:2025-04-19
Sucrose heptamyristate Chemical and Physical Properties
Names and Identifiers
-
- Sucrose heptamyristate
- NS00064111
- 94031-24-0
- EINECS 301-730-5
- DTXSID00240348
-
- Inchi： 1S/C110H204O18/c1-8-15-22-29-36-43-50-57-64-71-78-85-97(112)119-93-96-105(123-100(115)88-81-74-67-60-53-46-39-32-25-18-11-4)108(126-103(118)91-84-77-70-63-56-49-42-35-28-21-14-7)110(127-96,94-120-98(113)86-79-72-65-58-51-44-37-30-23-16-9-2)128-109-107(125-102(117)90-83-76-69-62-55-48-41-34-27-20-13-6)106(124-101(116)89-82-75-68-61-54-47-40-33-26-19-12-5)104(95(92-111)121-109)122-99(114)87-80-73-66-59-52-45-38-31-24-17-10-3/h95-96,104-109,111H,8-94H2,1-7H3/t95-,96-,104-,105-,106+,107-,108+,109-,110+/m1/s1
- InChI Key： XQJYXYBLMYFQOY-WIKZPNJNSA-N
- SMILES： O1[C@H](COC(CCCCCCCCCCCCC)=O)[C@H]([C@@H]([C@]1(COC(CCCCCCCCCCCCC)=O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)OC(CCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 1814.508
- Monoisotopic Mass: 1813.505
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 18
- Heavy Atom Count: 128
- Rotatable Bond Count: 103
- Complexity: 2550
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 9
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 232A^2
- XLogP3: 42.2
Experimental Properties
- Density: 1.01
- Boiling Point: 1273.2°Cat760mmHg
- Flash Point: 267.1°C
- Refractive Index: 1.499
Sucrose heptamyristate Related Literature
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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