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Molecule
Glyceraldehyde
CAS: 56-82-6 · C3H6O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 56-82-6
- Molecular Formula
- C3H6O3
- Molecular Mass
- 90.08 g/mol
Identifiers
CAS Registry Number
56-82-6
SMILES
O=CC(O)CO
InChI Key
MNQZXJOMYWMBOU-UHFFFAOYSA-N
InChI
InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2
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
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 90.08 g/mol | CAS Common Chemistry |
| 90.078 g/mol | RDKit | |
| Density | 1.46 g/cm³ | CAS Common Chemistry |
| 1.455 g/cm3 @ 18 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Glyceraldehyde | CAS Common Chemistry |
| Canonical SMILES | O=CC(O)CO | CAS Common Chemistry |
| InChI | InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2 | CAS Common Chemistry |
| InChI Key | InChIKey=MNQZXJOMYWMBOU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 145 °C | CAS Common Chemistry |
| Name | (±)-Glyceraldehyde | CAS Common Chemistry |
| Glyceraldehyde | CAS Common Chemistry | |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 57.53 Ų | RDKit |
| LogP | -1.4615 | RDKit |
| Molar Refractivity | 19.156599999999997 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 90.031694052 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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5
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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140
120
100
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40
20
0 ppm
| 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 = 90.08 g/mol; density = 1.460 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H6O3.
