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Methyl Α-D-Glucopyranoside
CAS: 97-30-3 | C7H14O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
97-30-3
Molecular Formula:
C7H14O6
Molecular Mass:
194.18 g/mol
Names and Synonyms:
Methyl Α-D-Glucopyranoside
α-D-Glucopyranoside, methyl
Glucopyranoside, methyl, α-D-
Methyl α-D-glucopyranoside
1-O-Methyl-α-D-glucoside
Methyl α-D-glucoside
Methyl α-glucopyranoside
Methyl α-D-(+)-glucoside
1-O-Methyl-α-D-glucopyranoside
α-Methyl D-glucose ether
1-O-Methyl-α-glucopyranoside
NSC 102101
NSC 214092
α-Methylglucoside
Identifiers:
SMILES:
CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChI:
InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6-,7+/m1/s1
Key Properties
Melting Point
168 °C
CAS Common Chemistry
Density
1.03 g/cm³
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 | 194.18 g/mol | CAS Common Chemistry |
| 194.18300000000002 g/mol | RDKit | |
| 194.079038168 g/mol | RDKit | |
| Density | 1.03 g/cm³ | CAS Common Chemistry |
| 1.03122 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Canonical SMILES | OCC1OC(OC)C(O)C(O)C1O | CAS Common Chemistry |
| InChI | InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6-,7+/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=HOVAGTYPODGVJG-ZFYZTMLRSA-N | CAS Common Chemistry |
| Melting Point | 168 °C | CAS Common Chemistry |
| Name | Methyl α-D-glucopyranoside | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 99.38000000000001 Ų | RDKit |
| LogP | -2.5673 | RDKit |
| Molar Refractivity | 40.77620000000001 | RDKit |
