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Molecule
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
Identifiers
CAS Registry Number
6363-53-7
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 Key
HBDJFVFTHLOSDW-DNDLZOGFSA-N
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
Names and Synonyms
- Maltose, Monohydrate Systematic Name
- D-Glucose, 4-O-α-D-glucopyranosyl-, hydrate (1:1) Synonym
- D-Glucose, 4-O-α-D-glucopyranosyl-, monohydrate Synonym
- Maltose, monohydrate Synonym
- Maltose monohydrate Synonym
- D-(+)-Maltose monohydrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 360.31 g/mol | CAS Common Chemistry |
| 360.31200000000007 g/mol | RDKit | |
| 360.312 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 |
| 228.87 Ų | RDKit | |
| 206.6 Ų | chempirical lib | |
| LogP | -6.379299999999992 | RDKit |
| -6.3793 | RDKit | |
| Molar Refractivity | 73.42420000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9167 | RDKit |
| 0.92 | chempirical lib | |
| Exact Mass | 360.1267762079999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 360.31 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H24O12.
