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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 Weight:
342.297 g/mol
Names and Synonyms:
Sucrose
α-D-Glucopyranoside, β-D-fructofuranosyl
Sucrose
β-D-Fructofuranosyl α-D-glucopyranoside
Cane sugar
Confectioner's sugar
Granulated sugar
Rock candy
Saccharose
Saccharum
Sugar
D-Sucrose
White sugar
Beet sugar
Microse
Amerfond
D-(+)-Saccharose
D-(+)-Sucrose
Sucralox
Manalox AS
(+)-Sucrose
GNE 410
NSC 406942
Frost Sugar
Carrare C 10
Khandsari
α-D-Glucosyl-β-D-fructofuranoside
Sucrose NF
Compressuc
S 67F
Pharma-a-spheres 20/25
Granulite Sugar CIG
MGP
MGP (sugar)
Tootsweet
Nitto Hi-Sweet Deluxe
Nitto hydriodide-Sweet Deluxe
2-[3,4-Dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
GHC 1
(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
Frost Sugar FS 2
Demerara
Sugar ARD
Sucrene SR 80/100
Identifiers:
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:
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
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 342.30 g/mol | Legacy Database |
| density | 1.58 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Sucrose None | Legacy Database |
| cas-canonical-smile | OCC1OC(OC2(OC(CO)C(O)C2O)CO)C(O)C(O)C1O None | Legacy Database |
| cas-density | 1.5805 g/cm3 @ Temp: 17 °C None | Legacy Database |
| cas-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 None | Legacy Database |
| cas-inchi-key | InChIKey=CZMRCDWAGMRECN-UGDNZRGBSA-N None | Legacy Database |
| cas-melting-point | 185.5 °C None | Legacy Database |
| cas-name | Sucrose None | Legacy Database |
| wikipedia-name | Sucrose None | Legacy Database |
| LogP | -5.395599999999993 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 342.297 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 342.11621152399994 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 23 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 11 count | RDKit |
| Hydrogen Bond Donors | 8 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 5 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 189.52999999999997 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 68.64140000000003 | RDKit |
