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Erythorbic Acid
CAS: 89-65-6 | C6H8O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
89-65-6
Molecular Formula:
C6H8O6
Molecular Mass:
176.12 g/mol
Names and Synonyms:
Erythorbic Acid
D-erythro-Hex-2-enonic acid, γ-lactone
Erythorbic acid
D-erythro-Hexonic acid, 3-keto-, γ-lactone
Erycorbin
Glucosaccharonic acid
Isoascorbic acid
Isovitamin C
Mercate 5
Saccharosonic acid
D-Araboascorbic acid
Araboascorbic acid, D-
D-(-)-Isoascorbic acid
Araboascorbic acid
D-Isoascorbic acid
Neo-Cebicure
D-Erythorbic acid
D-arabino-Ascorbic acid
NSC 8117
E 315
Identifiers:
SMILES:
O=C1O[C@H]([C@H](O)CO)C(O)=C1O
InChI:
InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5-/m1/s1
Key Properties
Melting Point
174 °C (decomp)
CAS Common Chemistry
Density
1.65 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 | 176.12 g/mol | CAS Common Chemistry |
| 176.124 g/mol | RDKit | |
| 176.032087976 g/mol | RDKit | |
| Density | 1.65 g/cm³ | CAS Common Chemistry |
| 1.654 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Erythorbic_acid | CAS Common Chemistry |
| Canonical SMILES | O=C1OC(C(O)=C1O)C(O)CO | CAS Common Chemistry |
| InChI | InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=CIWBSHSKHKDKBQ-DUZGATOHSA-N | CAS Common Chemistry |
| Melting Point | 174 °C (decomp) | CAS Common Chemistry |
| Name | Erythorbic acid | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 107.22000000000001 Ų | RDKit |
| LogP | -1.4073999999999995 | RDKit |
| Molar Refractivity | 35.25619999999999 | RDKit |
