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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
Names and Synonyms:
Isomalt
D-arabino-Hexitol, 6-O-α-D-glucopyranosyl-, (2ξ)-
(2ξ)-6-O-α-D-Glucopyranosyl-D-arabino-hexitol
Palatinitol
Palatinit
Isomalt
Palatinit C
Hydrogenated isomaltulose
Isomalt DC 110
Palatinit M
Palatinit PN
Palatinit PNM 2
Palatinit PNP
Palatinit GS
Palatinit PM
Palatinit GSP
Isomaltidex
GalenIQ 980
Palatinose PNP
C-Isomaltidex
GalenIQ 801
IsoMaltidex 16502
Isomalt PF
GalenIQ 960
Isomalt DC-A
Identifiers:
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:
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
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 | 344.31 g/mol | CAS Common Chemistry |
| 344.313 g/mol | RDKit | |
| 344.13186158799994 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 |
| LogP | -5.761199999999992 | RDKit |
| Molar Refractivity | 70.83220000000004 | RDKit |
