Back to Search
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
Names and Synonyms:
Sucrose Laurate
α-D-Glucopyranoside, β-D-fructofuranosyl, dodecanoate
Sucrose laurate
L 1690
Lauric acid saccharose ester
LSE 87
Ryoto Sugar Ester L 195
Ryoto Sugar Ester L 1695
Lauroylsucrose
Ryoto Sugar Ester SM 1280
LWA
L 1695
Ryoto Sugar Ester L 595
Sugar Ester L 595
L 595
SL 15
Kosumeraiku L 160
DK Ester L 150A
Surfhope Sepharma J 1205
Sucrose dodecanoate
DK Ester L 160A
Sistema L 70.C
Surfhope C 1216
L 170
LWA 1695
Cosmelike L 150A
Ryoto L 595
Surfhope Sepharma J 1216
Surfhope J 1216
L 195
Ryoto L 1695
Ryoto 11695
Cosmelike L 10
Surfhope SE Cosme C 1215L
Surfhope C 1201
Surfhope SE Cosme C 1201
Sucrose polylaurate
S 1695
L 1570
Identifiers:
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:
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
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 542.62 g/mol | CAS Common Chemistry |
| 542.6190000000003 g/mol | RDKit | |
| 542.2938415319998 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 |
| LogP | -1.4036999999999962 | RDKit |
| Molar Refractivity | 128.12120000000007 | RDKit |
