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D-Malic Acid
CAS: 636-61-3 | C4H6O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
636-61-3
Molecular Formula:
C4H6O5
Molecular Weight:
134.087 g/mol
Names and Synonyms:
D-Malic Acid
D-Malic acid
(R)-2-Hydroxysuccinic acid
(2R)-2-Hydroxybutanedioic acid
(R)-2-Hydroxysuccinate
(2R)-2-Hydroxysuccinic acid
(R)-Malic acid
(R)-2-Hydroxysuccinic acid
D-(+)-2-Hydroxysuccinic acid
(2R)-Malic acid
(R)-Malic acid
(R)-(+)-Malic acid
D-(+)-Malic acid
(+)-Malic acid
(2R)-2-Hydroxybutanedioic acid
Butanedioic acid, hydroxy-, (2R)-
Butanedioic acid, hydroxy-, (R)-
Malic acid, D-
Butanedioic acid, 2-hydroxy-, (2R)-
Identifiers:
SMILES:
O=C(O)C[C@@H](O)C(=O)O
InChI:
InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 134.09 g/mol | Legacy Database |
| cas-canonical-smile | O=C(O)CC(O)C(=O)O None | Legacy Database |
| cas-inchi | InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m1/s1 None | Legacy Database |
| cas-inchi-key | InChIKey=BJEPYKJPYRNKOW-UWTATZPHSA-N None | Legacy Database |
| cas-melting-point | 98-100 °C None | Legacy Database |
| cas-name | D-Malic acid None | Legacy Database |
| LogP | -1.0934000000000001 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 134.087 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 134.021523292 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 3 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 94.83 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 25.895399999999995 | RDKit |
