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Maltose, Monohydrate
CAS: 6363-53-7 | C12H24O12
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6363-53-7
Molecular Formula:
C12H24O12
Molecular Mass:
360.31 g/mol
Names and Synonyms:
Maltose, Monohydrate
D-Glucose, 4-O-α-D-glucopyranosyl-, hydrate (1:1)
D-Glucose, 4-O-α-D-glucopyranosyl-, monohydrate
Maltose, monohydrate
Maltose monohydrate
D-(+)-Maltose monohydrate
Identifiers:
SMILES:
O.O=C[C@H](O)[C@@H](O)[C@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)CO
InChI:
InChI=1S/C12H22O11.H2O/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12;/h1,4-12,14-21H,2-3H2;1H2/t4-,5+,6+,7+,8+,9-,10+,11+,12+;/m0./s1
Key Properties
Melting Point
106.15 °C
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 | 360.31 g/mol | CAS Common Chemistry |
| 360.31200000000007 g/mol | RDKit | |
| 360.1267762079999 g/mol | RDKit | |
| Canonical SMILES | O=CC(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)CO.O | CAS Common Chemistry |
| InChI | InChI=1S/C12H22O11.H2O/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12;/h1,4-12,14-21H,2-3H2;1H2/t4-,5+,6+,7+,8+,9-,10+,11+,12+;/m0./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=HBDJFVFTHLOSDW-DNDLZOGFSA-N | CAS Common Chemistry |
| Melting Point | 106.15 °C | CAS Common Chemistry |
| Name | Maltose, monohydrate | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 11 | RDKit |
| Hydrogen Bond Donors | 8 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 228.86999999999998 Ų | RDKit |
| LogP | -6.379299999999992 | RDKit |
| Molar Refractivity | 73.42420000000004 | RDKit |
