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Glyceraldehyde
CAS: 56-82-6 | C3H6O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
56-82-6
Molecular Formula:
C3H6O3
Molecular Weight:
90.078 g/mol
Names and Synonyms:
Glyceraldehyde
Synonym
Propanal, 2,3-dihydroxy-
Synonym
Glyceraldehyde, DL-
Synonym
Propanal, 2,3-dihydroxy-, (±)-
Synonym
2,3-Dihydroxypropanal
Synonym
DL-Glyceraldehyde
Synonym
DL-Glyceric aldehyde
Synonym
(±)-Glyceraldehyde
Synonym
dl-Glyceraldehyde
Synonym
α,β-Dihydroxypropionaldehyde
Synonym
Glyceric aldehyde
Synonym
Glycerose
Synonym
Glyceraldehyde
Synonym
2,3-Dihydroxypropionaldehyde
Synonym
Glycerinaldehyde
Synonym
NSC 67934
Synonym
Identifiers:
SMILES:
O=CC(O)CO
InChI:
InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| cas-melting-point | 145 °C None | Legacy Database |
| cas-inchi | InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2 None | Legacy Database |
| cas-inchi-key | InChIKey=MNQZXJOMYWMBOU-UHFFFAOYSA-N None | Legacy Database |
| molecular_mass | 90.08 g/mol | Legacy Database |
| density | 1.46 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Glyceraldehyde None | Legacy Database |
| cas-canonical-smile | O=CC(O)CO None | Legacy Database |
| cas-density | 1.455 g/cm3 @ Temp: 18 °C None | Legacy Database |
| LogP | -1.4615 | RDKit |
| cas-name | (±)-Glyceraldehyde None | Legacy Database |
| wikipedia-name | Glyceraldehyde None | Legacy Database |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 90.078 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 90.031694052 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 57.53 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 19.156599999999997 | RDKit |