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Molecule
Sucrose
CAS: 57-50-1 · C12H22O11
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 57-50-1
- Molecular Formula
- C12H22O11
- Molecular Mass
- 342.30 g/mol
Identifiers
CAS Registry Number
57-50-1
SMILES
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
CZMRCDWAGMRECN-UGDNZRGBSA-N
InChI
InChI=1S/C12H22O11/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/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1
Names and Synonyms
- Sucrose Synonym
- α-D-Glucopyranoside, β-D-fructofuranosyl Synonym
- Sucrose Synonym
- β-D-Fructofuranosyl α-D-glucopyranoside Synonym
- Cane sugar Synonym
- Confectioner's sugar Synonym
- Granulated sugar Synonym
- Rock candy Synonym
- Saccharose Synonym
- Saccharum Synonym
- Sugar Synonym
- D-Sucrose Synonym
- White sugar Synonym
- Beet sugar Synonym
- Microse Synonym
- Amerfond Synonym
- D-(+)-Saccharose Synonym
- D-(+)-Sucrose Synonym
- Sucralox Synonym
- Manalox AS Synonym
- (+)-Sucrose Synonym
- GNE 410 Synonym
- NSC 406942 Synonym
- Frost Sugar Synonym
- Carrare C 10 Synonym
- Khandsari Synonym
- α-D-Glucosyl-β-D-fructofuranoside Synonym
- Sucrose NF Synonym
- Compressuc Synonym
- S 67F Synonym
- Pharma-a-spheres 20/25 Synonym
- Granulite Sugar CIG Synonym
- MGP Synonym
- MGP (sugar) Synonym
- Tootsweet Synonym
- Nitto Hi-Sweet Deluxe Synonym
- Nitto hydriodide-Sweet Deluxe Synonym
- 2-[3,4-Dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol Synonym
- GHC 1 Synonym
- (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-Dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol Synonym
- Frost Sugar FS 2 Synonym
- Demerara Synonym
- Sugar ARD Synonym
- Sucrene SR 80/100 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 342.30 g/mol | CAS Common Chemistry |
| 342.297 g/mol | RDKit | |
| Density | 1.58 g/cm³ | CAS Common Chemistry |
| 1.5805 g/cm3 @ 17 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Sucrose | CAS Common Chemistry |
| Canonical SMILES | OCC1OC(OC2(OC(CO)C(O)C2O)CO)C(O)C(O)C1O | CAS Common Chemistry |
| InChI | InChI=1S/C12H22O11/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/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=CZMRCDWAGMRECN-UGDNZRGBSA-N | CAS Common Chemistry |
| Melting Point | 185.5 °C | CAS Common Chemistry |
| Name | Sucrose | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 11 | RDKit |
| Hydrogen Bond Donors | 8 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 189.52999999999997 Ų | RDKit |
| 189.53 Ų | RDKit | |
| LogP | -5.395599999999993 | RDKit |
| -5.3956 | RDKit | |
| Molar Refractivity | 68.64140000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 342.11621152399994 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
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100
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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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Quick conversion
MW = 342.30 g/mol; density = 1.580 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H22O11.
