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Molecule
(-)-Glyceraldehyde
CAS: 497-09-6 · C3H6O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 497-09-6
- Molecular Formula
- C3H6O3
- Molecular Mass
- 90.08 g/mol
Identifiers
CAS Registry Number
497-09-6
SMILES
O=C[C@@H](O)CO
InChI Key
MNQZXJOMYWMBOU-GSVOUGTGSA-N
InChI
InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2/t3-/m1/s1
Names and Synonyms
- (-)-Glyceraldehyde Common Name
- Propanal, 2,3-dihydroxy-, (2S)- Synonym
- Glyceraldehyde, L- Synonym
- Propanal, 2,3-dihydroxy-, (S)- Synonym
- (2S)-2,3-Dihydroxypropanal Synonym
- L-(-)-Glyceraldehyde Synonym
- L-Glyceraldehyde Synonym
- (S)-Glyceraldehyde Synonym
- (S)-(-)-2,3-Dihydroxypropanal Synonym
- (-)-Glyceraldehyde Synonym
- (S)-2,3-Dihydroxypropanal Synonym
- (2S)-2,3-Dihydroxypropanal 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 | |
| Canonical SMILES | O=CC(O)CO | CAS Common Chemistry |
| InChI | InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2/t3-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=MNQZXJOMYWMBOU-GSVOUGTGSA-N | CAS Common Chemistry |
| Name | (-)-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
8
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5
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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.
External Resources
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MW = 90.08 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H6O3.
