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Isomalt
CAS: 64519-82-0 | C12H24O11
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 64519-82-0
- Molecular Formula
- C12H24O11
- Molecular Mass
- 344.31 g/mol
Identifiers
CAS Registry Number
64519-82-0
SMILES
OCC(O)[C@@H](O)[C@H](O)[C@H](O)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChI Key
SERLAGPUMNYUCK-BLEZHGCXSA-N
InChI
InChI=1S/C12H24O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h4-21H,1-3H2/t4?,5-,6-,7-,8-,9-,10+,11-,12+/m1/s1
Names and Synonyms
- Isomalt Synonym
- D-arabino-Hexitol, 6-O-α-D-glucopyranosyl-, (2ξ)- Synonym
- (2ξ)-6-O-α-D-Glucopyranosyl-D-arabino-hexitol Synonym
- Palatinitol Synonym
- Palatinit Synonym
- Isomalt Synonym
- Palatinit C Synonym
- Hydrogenated isomaltulose Synonym
- Isomalt DC 110 Synonym
- Palatinit M Synonym
- Palatinit PN Synonym
- Palatinit PNM 2 Synonym
- Palatinit PNP Synonym
- Palatinit GS Synonym
- Palatinit PM Synonym
- Palatinit GSP Synonym
- Isomaltidex Synonym
- GalenIQ 980 Synonym
- Palatinose PNP Synonym
- C-Isomaltidex Synonym
- GalenIQ 801 Synonym
- IsoMaltidex 16502 Synonym
- Isomalt PF Synonym
- GalenIQ 960 Synonym
- Isomalt DC-A Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 344.31 g/mol | CAS Common Chemistry |
| 344.313 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Isomalt | CAS Common Chemistry |
| Canonical SMILES | OCC(O)C(O)C(O)C(O)COC1OC(CO)C(O)C(O)C1O | CAS Common Chemistry |
| InChI | InChI=1S/C12H24O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h4-21H,1-3H2/t4?,5-,6-,7-,8-,9-,10+,11-,12+/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=SERLAGPUMNYUCK-BLEZHGCXSA-N | CAS Common Chemistry |
| Name | Isomalt | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 11 | RDKit |
| Hydrogen Bond Donors | 9 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 200.52999999999997 Ų | RDKit |
| 200.53 Ų | RDKit | |
| LogP | -5.761199999999992 | RDKit |
| -5.7612 | RDKit | |
| Molar Refractivity | 70.83220000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 344.13186158799994 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
Related
Related molecules
Other compounds with formula C12H24O11.
