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Molecule
Ascorbyl Glucoside
CAS: 129499-78-1 · C12H18O11
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 129499-78-1
- Molecular Formula
- C12H18O11
- Molecular Mass
- 338.27 g/mol
Identifiers
CAS Registry Number
129499-78-1
SMILES
O=C1O[C@H]([C@@H](O)CO)C(O)=C1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChI Key
MLSJBGYKDYSOAE-DCWMUDTNSA-N
InChI
InChI=1S/C12H18O11/c13-1-3(15)9-8(19)10(11(20)22-9)23-12-7(18)6(17)5(16)4(2-14)21-12/h3-7,9,12-19H,1-2H2/t3-,4+,5+,6-,7+,9+,12+/m0/s1
Names and Synonyms
- Ascorbyl Glucoside Synonym
- L-Ascorbic acid, 2-O-α-D-glucopyranosyl- Synonym
- 2-O-α-D-Glucopyranosyl-L-ascorbic acid Synonym
- L-Ascorbic acid 2-glucoside Synonym
- AA 2G Synonym
- 2-O-α-D-Glucosyl-L-ascorbic acid Synonym
- Ascofresh Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 338.27 g/mol | CAS Common Chemistry |
| 338.265 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ascorbyl_glucoside | CAS Common Chemistry |
| Canonical SMILES | O=C1OC(C(O)=C1OC2OC(CO)C(O)C(O)C2O)C(O)CO | CAS Common Chemistry |
| InChI | InChI=1S/C12H18O11/c13-1-3(15)9-8(19)10(11(20)22-9)23-12-7(18)6(17)5(16)4(2-14)21-12/h3-7,9,12-19H,1-2H2/t3-,4+,5+,6-,7+,9+,12+/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=MLSJBGYKDYSOAE-DCWMUDTNSA-N | CAS Common Chemistry |
| Name | L-Ascorbic acid 2-glucoside | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 11 | RDKit |
| Hydrogen Bond Donors | 7 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 186.37 Ų | RDKit |
| LogP | -4.148899999999996 | RDKit |
| -4.1489 | RDKit | |
| Molar Refractivity | 67.47960000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 338.08491139599994 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 |
|---|
200 ppm
180
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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.
External Resources
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MW = 338.27 g/mol. Edit any field — others recompute live.
