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Molecule
Sucrose Laurate
CAS: 37266-93-6 · C24H46O13
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 37266-93-6
- Molecular Formula
- C24H46O13
- Molecular Mass
- 542.62 g/mol
Identifiers
CAS Registry Number
37266-93-6
SMILES
CCCCCCCCCCCC(=O)O.OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O
InChI Key
PVVVEHXCVQRLOC-AKSHDPDZSA-N
InChI
InChI=1S/C12H22O11.C12H24O2/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12;1-2-3-4-5-6-7-8-9-10-11-12(13)14/h4-11,13-20H,1-3H2;2-11H2,1H3,(H,13,14)/t4-,5-,6-,7-,8+,9-,10+,11-,12+;/m1./s1
Names and Synonyms
- Sucrose Laurate Common Name
- α-D-Glucopyranoside, β-D-fructofuranosyl, dodecanoate Synonym
- Sucrose laurate Synonym
- L 1690 Synonym
- Lauric acid saccharose ester Synonym
- LSE 87 Synonym
- Ryoto Sugar Ester L 195 Synonym
- Ryoto Sugar Ester L 1695 Synonym
- Lauroylsucrose Synonym
- Ryoto Sugar Ester SM 1280 Synonym
- LWA Synonym
- L 1695 Synonym
- Ryoto Sugar Ester L 595 Synonym
- Sugar Ester L 595 Synonym
- L 595 Synonym
- SL 15 Synonym
- Kosumeraiku L 160 Synonym
- DK Ester L 150A Synonym
- Surfhope Sepharma J 1205 Synonym
- Sucrose dodecanoate Synonym
- DK Ester L 160A Synonym
- Sistema L 70.C Synonym
- Surfhope C 1216 Synonym
- L 170 Synonym
- LWA 1695 Synonym
- Cosmelike L 150A Synonym
- Ryoto L 595 Synonym
- Surfhope Sepharma J 1216 Synonym
- Surfhope J 1216 Synonym
- L 195 Synonym
- Ryoto L 1695 Synonym
- Ryoto 11695 Synonym
- Cosmelike L 10 Synonym
- Surfhope SE Cosme C 1215L Synonym
- Surfhope C 1201 Synonym
- Surfhope SE Cosme C 1201 Synonym
- Sucrose polylaurate Synonym
- S 1695 Synonym
- L 1570 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 542.62 g/mol | CAS Common Chemistry |
| 542.6190000000003 g/mol | RDKit | |
| 542.619 g/mol | RDKit | |
| Canonical SMILES | O=C(O)CCCCCCCCCCC.OCC1OC(OC2(OC(CO)C(O)C2O)CO)C(O)C(O)C1O | CAS Common Chemistry |
| InChI | InChI=1S/C12H22O11.C12H24O2/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12;1-2-3-4-5-6-7-8-9-10-11-12(13)14/h4-11,13-20H,1-3H2;2-11H2,1H3,(H,13,14)/t4-,5-,6-,7-,8+,9-,10+,11-,12+;/m1./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=PVVVEHXCVQRLOC-AKSHDPDZSA-N | CAS Common Chemistry |
| Name | Sucrose laurate | CAS Common Chemistry |
| Heavy Atom Count | 37 | RDKit |
| Hydrogen Bond Acceptors | 12 | RDKit |
| Hydrogen Bond Donors | 9 | RDKit |
| Rotatable Bonds | 15 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 226.82999999999998 Ų | RDKit |
| 226.83 Ų | RDKit | |
| LogP | -1.4036999999999962 | RDKit |
| -1.4037 | RDKit | |
| Molar Refractivity | 128.12120000000007 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9583 | RDKit |
| 0.96 | chempirical lib | |
| Exact Mass | 542.2938415319998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 542.62 g/mol. Edit any field — others recompute live.
