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(-)-Glyceraldehyde
CAS: 497-09-6 | C3H6O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
497-09-6
Molecular Formula:
C3H6O3
Molecular Mass:
90.08 g/mol
Names and Synonyms:
(-)-Glyceraldehyde
Propanal, 2,3-dihydroxy-, (2S)-
Glyceraldehyde, L-
Propanal, 2,3-dihydroxy-, (S)-
(2S)-2,3-Dihydroxypropanal
L-(-)-Glyceraldehyde
L-Glyceraldehyde
(S)-Glyceraldehyde
(S)-(-)-2,3-Dihydroxypropanal
(-)-Glyceraldehyde
(S)-2,3-Dihydroxypropanal
(2S)-2,3-Dihydroxypropanal
Identifiers:
SMILES:
O=C[C@@H](O)CO
InChI:
InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2/t3-/m1/s1
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 | 90.08 g/mol | CAS Common Chemistry |
| 90.078 g/mol | RDKit | |
| 90.031694052 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 | RDKit |
