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Molecule
Sucralose
CAS: 56038-13-2 · C12H19Cl3O8
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 56038-13-2
- Molecular Formula
- C12H19Cl3O8
- Molecular Mass
- 397.64 g/mol
Identifiers
CAS Registry Number
56038-13-2
SMILES
OC[C@H]1O[C@H](O[C@]2(CCl)O[C@H](CCl)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1Cl
InChI Key
BAQAVOSOZGMPRM-QBMZZYIRSA-N
InChI
InChI=1S/C12H19Cl3O8/c13-1-4-7(17)10(20)12(3-14,22-4)23-11-9(19)8(18)6(15)5(2-16)21-11/h4-11,16-20H,1-3H2/t4-,5-,6+,7-,8+,9-,10+,11-,12+/m1/s1
Names and Synonyms
- Sucralose Synonym
- α-D-Galactopyranoside, 1,6-dichloro-1,6-dideoxy-β-D-fructofuranosyl 4-chloro-4-deoxy- Synonym
- 1,6-Dichloro-1,6-dideoxy-β-D-fructofuranosyl 4-chloro-4-deoxy-α-D-galactopyranoside Synonym
- 1′,4,6′-Trichlorogalactosucrose Synonym
- 4,1′,6′-Trichloro-4,1′,6′-trideoxygalactosucrose Synonym
- Sucralose Synonym
- Splenda Synonym
- Aspasvit Synonym
- Sansweet SU 100 Synonym
- TGS Synonym
- Acucar Light Synonym
- San Sweet SA 8020 Synonym
- Sucrazit Synonym
- Sansweet Synonym
- Predillon SU 600 Synonym
- Sansweet SU 200 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 397.64 g/mol | CAS Common Chemistry |
| 397.635 g/mol | RDKit | |
| 397.626 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Sucralose | CAS Common Chemistry |
| Canonical SMILES | ClCC1OC(OC2OC(CO)C(Cl)C(O)C2O)(CCl)C(O)C1O | CAS Common Chemistry |
| InChI | InChI=1S/C12H19Cl3O8/c13-1-4-7(17)10(20)12(3-14,22-4)23-11-9(19)8(18)6(15)5(2-16)21-11/h4-11,16-20H,1-3H2/t4-,5-,6+,7-,8+,9-,10+,11-,12+/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=BAQAVOSOZGMPRM-QBMZZYIRSA-N | CAS Common Chemistry |
| Melting Point | 130 °C | CAS Common Chemistry |
| Name | Sucralose | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 128.84 Ų | RDKit |
| LogP | -1.6561000000000003 | RDKit |
| -1.6561 | RDKit | |
| Molar Refractivity | 79.54400000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 396.014550608 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 = 397.64 g/mol. Edit any field — others recompute live.
