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Molecule
Maltotetraose
CAS: 34612-38-9 · C24H42O21
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 34612-38-9
- Molecular Formula
- C24H42O21
- Molecular Mass
- 666.58 g/mol
Identifiers
CAS Registry Number
34612-38-9
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]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CO
InChI Key
UYQJCPNSAVWAFU-KVXMBEGHSA-N
InChI
InChI=1S/C24H42O21/c25-1-6(30)11(32)19(7(31)2-26)43-23-17(38)14(35)21(9(4-28)41-23)45-24-18(39)15(36)20(10(5-29)42-24)44-22-16(37)13(34)12(33)8(3-27)40-22/h1,6-24,26-39H,2-5H2/t6-,7+,8+,9+,10+,11+,12+,13-,14+,15+,16+,17+,18+,19+,20+,21+,22+,23+,24+/m0/s1
Names and Synonyms
- Maltotetraose Synonym
- D-Glucose, O-α-D-glucopyranosyl-(1→4)-O-α-D-glucopyranosyl-(1→4)-O-α-D-glucopyranosyl-(1→4)- Synonym
- Maltotetraose Synonym
- O-α-D-Glucopyranosyl-(1→4)-O-α-D-glucopyranosyl-(1→4)-O-α-D-glucopyranosyl-(1→4)-D-glucose Synonym
- Amylotetraose Synonym
- α-1,4-Tetraglucose Synonym
- Fujioligo 450 Synonym
- Tetrup L Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 666.58 g/mol | CAS Common Chemistry |
| 666.5790000000005 g/mol | RDKit | |
| 666.579 g/mol | RDKit | |
| Canonical SMILES | O=CC(O)C(O)C(OC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O)C(O)CO | CAS Common Chemistry |
| InChI | InChI=1S/C24H42O21/c25-1-6(30)11(32)19(7(31)2-26)43-23-17(38)14(35)21(9(4-28)41-23)45-24-18(39)15(36)20(10(5-29)42-24)44-22-16(37)13(34)12(33)8(3-27)40-22/h1,6-24,26-39H,2-5H2/t6-,7+,8+,9+,10+,11+,12+,13-,14+,15+,16+,17+,18+,19+,20+,21+,22+,23+,24+/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=UYQJCPNSAVWAFU-KVXMBEGHSA-N | CAS Common Chemistry |
| Name | Maltotetraose | CAS Common Chemistry |
| Heavy Atom Count | 45 | RDKit |
| Hydrogen Bond Acceptors | 21 | RDKit |
| Hydrogen Bond Donors | 14 | RDKit |
| Rotatable Bonds | 14 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 355.67 Ų | RDKit |
| LogP | -9.906200000000013 | RDKit |
| -9.9062 | RDKit | |
| Molar Refractivity | 135.07720000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9583 | RDKit |
| 0.96 | chempirical lib | |
| Exact Mass | 666.2218583639999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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| 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.
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MW = 666.58 g/mol. Edit any field — others recompute live.
