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Cas Database |
| Name |
D-Glucaric acid |
EINECS | 201-768-1 |
| CAS No. | 87-73-0 | Density | 1.939 g/cm3 |
| PSA | 155.52000 | LogP | -3.40080 |
| Solubility | N/A | Melting Point |
125-126° |
| Formula | C6H10O8 | Boiling Point | 766.4 °C at 760 mmHg |
| Molecular Weight | 210.141 | Flash Point | 431.2 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Glucaricacid, D- (8CI);Saccharic acid (6CI);D-(+)-Saccharic acid;D-Glucosaccharicacid;D-Saccharate;D-Saccharic acid;D-Tetrahydroxyadipic acid;L-Gularic acid; |
Article Data | 111 |
D-Glucaric acid Synthetic route
| Conditions | Yield |
|---|---|
| With 5 % platinum on carbon; oxygen In water at 80℃; under 10351 Torr; for 10h; pH=7.2; pH-value; Temperature; Pressure; | 74% |
| With oxygen In water at 110℃; under 8517.48 Torr; for 2h; | 21% |
| With nitric acid |
- 576-42-1
D-glucaric acid monopotassium salt
A
- 87-73-0
D-glucaric acid
B
- 389-36-6
D-Glucaro-1,4-lacton
C
- 2782-04-9
D-glucaro-6,3-lactone
| Conditions | Yield |
|---|---|
| With H(1+) resin Rexyn 100(H) In water for 3h; lactonization; | A n/a B n/a C 69.1% |
| Conditions | Yield |
|---|---|
| With 2.44 wt.% platinum and 2.38 wt.% aurum on carbon; oxygen In water at 90℃; under 4635.46 Torr; for 5h; Reagent/catalyst; | 60% |
| Conditions | Yield |
|---|---|
| With dihydrogen peroxide; 3-butyl-1-methyl-1H-imidazol-3-ium hexafluorophosphate In water at 60℃; for 18h; | A 7% B 35% C 17% |
| With oxygen; potassium hydrogen phthalate In water for 3h; pH=4.01; Catalytic behavior; Kinetics; Mechanism; Reagent/catalyst; pH-value; UV-irradiation; |
| Conditions | Yield |
|---|---|
| With oxygen; sodium hydroxide In water at 60℃; under 7500.75 Torr; for 24h; Catalytic behavior; Temperature; Pressure; Reagent/catalyst; Autoclave; | A 31% B 18% |
| With MoO5; dihydrogen peroxide; 3-butyl-1-methyl-1H-imidazol-3-ium hexafluorophosphate In water at 60℃; for 18h; | A 27% B 13% |
| With ammonium vanadate In sulfuric acid at 90℃; for 3h; Kinetics; Mechanism; Equilibrium constant; activation energy; different concentrations of H2SO4; | |
| With oxygen; sodium nitrite In sulfolane; perchloric acid at 59.85℃; under 750.06 Torr; Kinetics; Further Variations:; Temperatures; Pressures; | |
| With Fe-doped TiO2-supported zeolite; air In water; acetonitrile at 30℃; under 760.051 Torr; for 1.5h; Reagent/catalyst; Solvent; UV-irradiation; |
- 87-73-0
D-glucaric acid
| Conditions | Yield |
|---|---|
| With nitric acid in mehreren Stufen; | |
| bei der Einw. von Aspergillus niger; | |
| bei der Einw. der Nektarhefen Anthomyces Reukaufii oder Amphiernia rubra; |
| Conditions | Yield |
|---|---|
| With nitric acid | |
| Bildung aus subcutan injizierte d-Gluconsaeure im Organismus des Kaninchens. (Schott konnte diese Bildung nicht bestaetigen); | |
| With UDP-glucose dehydrogenase Enzymatic reaction; | |
| With sodium sulfate at 25℃; Electrochemical reaction; |
- 20246-33-7
gluconic acid
- 87-73-0
D-glucaric acid
| Conditions | Yield |
|---|---|
| With nitric acid |
- 87-73-0
D-glucaric acid
| Conditions | Yield |
|---|---|
| With bromine |
- 66-84-2, 1772-03-8, 2861-47-4, 4773-26-6, 5505-63-5, 20880-44-8, 25591-10-0, 28002-39-3, 91673-93-7, 91674-20-3, 91674-21-4, 92986-85-1, 95245-33-3, 113532-33-5
2-amino-hexanetetrol-(3,4,5,6)-al-(1); hydrochloride
- 87-73-0
D-glucaric acid
| Conditions | Yield |
|---|---|
| Desaminierung und nachfolgende Oxydation mit Salpetersaeure; |
D-Glucaric acid Specification
The D-Glucaric acid, with the CAS registry number 87-73-0, is also known as D-(+)-saccharic acid. Its EINECS registry number is 201-768-1. This chemical's molecular formula is C6H10O8 and molecular weight is 210.14. Its IUPAC name is called (2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid.
Physical properties of D-Glucaric acid: (1)ACD/LogP: -1.46; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -6.12; (4)ACD/LogD (pH 7.4): -6.21; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 8; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 9; (12)Index of Refraction: 1.638; (13)Molar Refractivity: 38.94 cm3; (14)Molar Volume: 108.3 cm3; (15)Surface Tension: 137.2 dyne/cm; (16)Density: 1.939 g/cm3; (17)Flash Point: 431.2 °C; (18)Enthalpy of Vaporization: 127.27 kJ/mol; (19)Boiling Point: 766.4 °C at 760 mmHg; (20)Vapour Pressure: 4.04E-27 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(C(C(C(=O)O)O)O)(C(C(=O)O)O)O
(2)Isomeric SMILES: [C@H]([C@@H]([C@@H](C(=O)O)O)O)([C@H](C(=O)O)O)O
(3)InChI: InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2-,3-,4+/m0/s1
(4)InChIKey: DSLZVSRJTYRBFB-LLEIAEIESA-N
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