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Molecule
Maltotriose
CAS: 1109-28-0 · C18H32O16
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1109-28-0
- Molecular Formula
- C18H32O16
- Molecular Mass
- 504.44 g/mol
Identifiers
CAS Registry Number
1109-28-0
SMILES
O=C[C@H](O)[C@@H](O)[C@H](O[C@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CO
InChI Key
RXVWSYJTUUKTEA-CGQAXDJHSA-N
InChI
InChI=1S/C18H32O16/c19-1-5(23)9(25)15(6(24)2-20)33-18-14(30)12(28)16(8(4-22)32-18)34-17-13(29)11(27)10(26)7(3-21)31-17/h1,5-18,20-30H,2-4H2/t5-,6+,7+,8+,9+,10+,11-,12+,13+,14+,15+,16+,17+,18+/m0/s1
Names and Synonyms
- Maltotriose Common Name
- D-Glucose, O-α-D-glucopyranosyl-(1→4)-O-α-D-glucopyranosyl-(1→4)- Synonym
- Maltotriose Synonym
- O-α-D-Glucopyranosyl-(1→4)-O-α-D-glucopyranosyl-(1→4)-D-glucose Synonym
- Amylotriose Synonym
- D-Maltotriose Synonym
- Triomaltose Synonym
- NSC 170180 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 504.44 g/mol | CAS Common Chemistry |
| 504.43800000000016 g/mol | RDKit | |
| 504.438 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Maltotriose | CAS Common Chemistry |
| Canonical SMILES | O=CC(O)C(O)C(OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)C(O)CO | CAS Common Chemistry |
| InChI | InChI=1S/C18H32O16/c19-1-5(23)9(25)15(6(24)2-20)33-18-14(30)12(28)16(8(4-22)32-18)34-17-13(29)11(27)10(26)7(3-21)31-17/h1,5-18,20-30H,2-4H2/t5-,6+,7+,8+,9+,10+,11-,12+,13+,14+,15+,16+,17+,18+/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=RXVWSYJTUUKTEA-CGQAXDJHSA-N | CAS Common Chemistry |
| Name | Maltotriose | CAS Common Chemistry |
| Heavy Atom Count | 34 | RDKit |
| Hydrogen Bond Acceptors | 16 | RDKit |
| Hydrogen Bond Donors | 11 | RDKit |
| Rotatable Bonds | 11 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 276.52 Ų | RDKit |
| LogP | -7.730399999999989 | RDKit |
| -7.7304 | RDKit | |
| Molar Refractivity | 102.44380000000001 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9444 | RDKit |
| 0.94 | chempirical lib | |
| Exact Mass | 504.1690349439998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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 = 504.44 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C18H32O16.
