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D-Homoserine
CAS: 6027-21-0 | C4H9NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6027-21-0
Molecular Formula:
C4H9NO3
Molecular Mass:
119.12 g/mol
Names and Synonyms:
D-Homoserine
D-Homoserine
Butyric acid, 2-amino-4-hydroxy-, D-
NSC 206298
(R)-2-Amino-4-hydroxybutanoic acid
(2R)-2-Azaniumyl-4-hydroxybutanoate
(2R)-2-Amino-4-hydroxybutanoic acid
Identifiers:
SMILES:
N[C@H](CCO)C(=O)O
InChI:
InChI=1S/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m1/s1
Key Properties
Melting Point
203 °C (decomp)
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 | 119.12 g/mol | CAS Common Chemistry |
| 119.11999999999998 g/mol | RDKit | |
| 119.058243148 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(N)CCO | CAS Common Chemistry |
| InChI | InChI=1S/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=UKAUYVFTDYCKQA-GSVOUGTGSA-N | CAS Common Chemistry |
| Melting Point | 203 °C (decomp) | CAS Common Chemistry |
| Name | D-Homoserine | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 83.55 Ų | RDKit |
| LogP | -1.2192999999999998 | RDKit |
| Molar Refractivity | 27.313999999999993 | RDKit |
