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Cas Database |
| Name |
D-2-Hydroxyglutaric acid |
EINECS | 231-158-0 |
| CAS No. | 13095-47-1 | Density | 1.508 g/cm3 |
| PSA | 94.83000 | LogP | -0.70330 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C5H8O5 | Boiling Point | 394.2 °C at 760 mmHg |
| Molecular Weight | 148.116 | Flash Point | 206.4 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Glutaricacid, 2-hydroxy-, D- (8CI);Pentanedioic acid, 2-hydroxy-, (R)-;(R)-2-Hydroxyglutaric acid;(R)-a-Hydroxyglutaric acid;D-a-Hydroxyglutaric acid; |
Article Data | 15 |
D-2-Hydroxyglutaric acid Synthetic route
- 6893-26-1
D-Glutamic acid
- 13095-47-1
(2R)-hydroxyglutaric acid
| Conditions | Yield |
|---|---|
| With hydrogenchloride; acetic acid; sodium nitrite | |
| With oxonium; sodium nitrite In water | |
| Multi-step reaction with 2 steps 1: concentrated hydrochloric acid; nitrosyl chloride 2: water View Scheme | |
| With sulfuric acid; sodium nitrite In water at 20℃; for 27h; Cooling with ice; |
- 4189-03-1, 149859-20-1
(-)(S)-2-chloro-glutaric acid
- 13095-47-1
(2R)-hydroxyglutaric acid
| Conditions | Yield |
|---|---|
| With sodium hydroxide | |
| With water; silver(l) oxide | |
| With water |
- 5976-90-9
4-formyl-4-oxobutanoic acid
- 13095-47-1
(2R)-hydroxyglutaric acid
| Conditions | Yield |
|---|---|
| durch Einw. von Escherichia coli; | |
| durch Einw. von lebender Hefe; | |
| dursch Einw. von Leber- oder Muskelbrei sowie Muskelextrakt; | |
| weniger einheitliche Praeparate bilden sich bei der Einw. eines aus Erbsenkeimlingen hergestellten Fermentpraeparates; |
- 13095-47-1
(2R)-hydroxyglutaric acid
| Conditions | Yield |
|---|---|
| (i) HBr, AcOH, (ii) H2, Pd, MeOH, (iii) aq. HCl; Multistep reaction; |
- 2280-44-6
D-Glucose
A
- 328-50-7
α-ketoglutaric acid
B
- 13095-47-1
(2R)-hydroxyglutaric acid
C
- 127-17-3
2-oxo-propionic acid
| Conditions | Yield |
|---|---|
| With ammonium iron (II) sulfate; potassium dihydrogenphosphate; ammonium succinate; D-glucose; Thiamine hydrochloride; magnesium sulfate In water at 26℃; for 144h; Yarrowia lipolytica R-2; Yield given. Yields of byproduct given; | |
| With ammonium iron (II) sulfate; potassium dihydrogenphosphate; ammonium succinate; D-glucose; Thiamine hydrochloride; magnesium sulfate In water at 26℃; for 144h; Yarrowia lipolytica IFO 1659; Yield given. Yields of byproduct given; |
- 629-62-9
pentadecane
A
- 328-50-7
α-ketoglutaric acid
B
- 13095-47-1
(2R)-hydroxyglutaric acid
C
- 127-17-3
2-oxo-propionic acid
| Conditions | Yield |
|---|---|
| With ammonium iron (II) sulfate; potassium dihydrogenphosphate; ammonium succinate; D-glucose; Thiamine hydrochloride; magnesium sulfate In water at 26℃; for 144h; Yarrowia lipolytica IFO 1659; Yield given. Yields of byproduct given; | |
| With ammonium iron (II) sulfate; potassium dihydrogenphosphate; ammonium succinate; D-glucose; Thiamine hydrochloride; magnesium sulfate In water at 26℃; for 144h; Yarrowia lipolytica R-2; Yield given. Yields of byproduct given; |
- 544-76-3
Hexadecane
A
- 328-50-7
α-ketoglutaric acid
B
- 13095-47-1
(2R)-hydroxyglutaric acid
C
- 127-17-3
2-oxo-propionic acid
| Conditions | Yield |
|---|---|
| With ammonium iron (II) sulfate; potassium dihydrogenphosphate; ammonium succinate; D-glucose; Thiamine hydrochloride; magnesium sulfate In water at 26℃; for 144h; Yarrowia lipolytica IFO 1659; Yield given. Yields of byproduct given; | |
| With ammonium iron (II) sulfate; potassium dihydrogenphosphate; ammonium succinate; D-glucose; Thiamine hydrochloride; magnesium sulfate In water at 26℃; for 144h; Yarrowia lipolytica R-2; Yield given. Yields of byproduct given; |
- 56-81-5
glycerol
A
- 328-50-7
α-ketoglutaric acid
B
- 13095-47-1
(2R)-hydroxyglutaric acid
C
- 127-17-3
2-oxo-propionic acid
| Conditions | Yield |
|---|---|
| With ammonium iron (II) sulfate; potassium dihydrogenphosphate; ammonium succinate; D-glucose; Thiamine hydrochloride; magnesium sulfate In water at 26℃; for 144h; Yarrowia lipolytica IFO 1659; Yield given. Yields of byproduct given; |
- 5976-90-9
4-formyl-4-oxobutanoic acid
- 13095-47-1
(2R)-hydroxyglutaric acid
- 5976-90-9
4-formyl-4-oxobutanoic acid
- 13095-47-1
(2R)-hydroxyglutaric acid
D-2-Hydroxyglutaric acid Specification
The Pentanedioic acid,2-hydroxy-, (2R)- with CAS registry number of 13095-47-1 is also known as D-2-Hydroxyglutaric acid. The IUPAC name is (2R)-2-Hydroxypentanedioate. In addition, the formula is C5H8O5 and the molecular weight is 146.10.
Physical properties about Pentanedioic acid,2-hydroxy-, (2R)- are: (1)ACD/LogP: -1.45; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 5; (9)Index of Refraction: 1.519; (10)Molar Refractivity: 29.83 cm3; (11)Molar Volume: 98.2 cm3; (12)Surface Tension: 74.7 dyne/cm; (13)Density: 1.508 g/cm3; (14)Flash Point: 206.4 °C; (15)Enthalpy of Vaporization: 74.48 kJ/mol; (16)Boiling Point: 394.2 °C at 760 mmHg; (17)Vapour Pressure: 7.55E-08 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: C(CC(=O)[O-])C(C(=O)[O-])O
2. Isomeric SMILES: C(CC(=O)[O-])[C@H](C(=O)[O-])O
3. InChI: InChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)/p-2/t3-/m1/s1
4. InChIKey: HWXBTNAVRSUOJR-GSVOUGTGSA-L
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