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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 Mass:
134.09 g/mol
Names and Synonyms:
D-Malic Acid
Butanedioic acid, 2-hydroxy-, (2R)-
Malic acid, D-
Butanedioic acid, hydroxy-, (R)-
Butanedioic acid, hydroxy-, (2R)-
(2R)-2-Hydroxybutanedioic acid
D-Malic acid
(+)-Malic acid
D-(+)-Malic acid
(R)-(+)-Malic acid
(R)-Malic acid
(2R)-Malic acid
D-(+)-2-Hydroxysuccinic acid
(R)-2-Hydroxysuccinic acid
(R)-Malic acid
(2R)-2-Hydroxysuccinic acid
(R)-2-Hydroxysuccinate
(2R)-2-Hydroxybutanedioic acid
(R)-2-Hydroxysuccinic acid
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
Key Properties
Melting Point
98-100 °C
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 | 134.09 g/mol | CAS Common Chemistry |
| 134.087 g/mol | RDKit | |
| 134.021523292 g/mol | RDKit | |
| Canonical SMILES | O=C(O)CC(O)C(=O)O | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=BJEPYKJPYRNKOW-UWTATZPHSA-N | CAS Common Chemistry |
| Melting Point | 98-100 °C | CAS Common Chemistry |
| Name | D-Malic acid | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 94.83 Ų | RDKit |
| LogP | -1.0934000000000001 | RDKit |
| Molar Refractivity | 25.895399999999995 | RDKit |
