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Trehalose
CAS: 99-20-7 | C12H22O11
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
99-20-7
Molecular Formula:
C12H22O11
Molecular Mass:
342.30 g/mol
Names and Synonyms:
Trehalose
α-D-Glucopyranoside, α-D-glucopyranosyl
Trehalose
α-D-Glucopyranosyl α-D-glucopyranoside
Ergot sugar
Mycose
Natural trehalose
α,α-Trehalose
α-D-Trehalose
D-(+)-Trehalose
α-Trehalose
D-Trehalose
α,α′-D-Trehalose
Trehaose
Treha
NSC 2093
O-D-Glucopyranosyl-(1→1)-D-glucopyranoside
Trehalose P
Thealoz
Cabaletta
Trehalose 100PH
Tremalose
Identifiers:
SMILES:
OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
InChI:
InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1
Key Properties
Melting Point
203 °C
CAS Common Chemistry
Density
1.53 g/cm³
CAS Common Chemistry
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 | 342.30 g/mol | CAS Common Chemistry |
| 342.297 g/mol | RDKit | |
| 342.11621152399994 g/mol | RDKit | |
| Density | 1.53 g/cm³ | CAS Common Chemistry |
| 1.53 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Trehalose | CAS Common Chemistry |
| Canonical SMILES | OCC1OC(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O | CAS Common Chemistry |
| InChI | InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=HDTRYLNUVZCQOY-LIZSDCNHSA-N | CAS Common Chemistry |
| Melting Point | 203 °C | CAS Common Chemistry |
| Name | Trehalose | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 11 | RDKit |
| Hydrogen Bond Donors | 8 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 189.52999999999997 Ų | RDKit |
| LogP | -5.397199999999993 | RDKit |
| Molar Refractivity | 68.61940000000004 | RDKit |
