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CAS No.: | 87-73-0 |
---|---|
Name: | D-SACCHARIC ACID CALCIUM SALT |
Article Data: | 111 |
Molecular Structure: | |
Formula: | C6H10O8 |
Molecular Weight: | 210.141 |
Synonyms: | Glucaricacid, D- (8CI);Saccharic acid (6CI);D-(+)-Saccharic acid;D-Glucosaccharicacid;D-Saccharate;D-Saccharic acid;D-Tetrahydroxyadipic acid;L-Gularic acid; |
EINECS: | 201-768-1 |
Density: | 1.939 g/cm3 |
Melting Point: | 125-126° |
Boiling Point: | 766.4 °C at 760 mmHg |
Flash Point: | 431.2 °C |
PSA: | 155.52000 |
LogP: | -3.40080 |
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 |
D-glucaric acid monopotassium salt
A
D-glucaric acid
B
D-Glucaro-1,4-lacton
C
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; |
glucose
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; |
gluconic acid
D-glucaric acid
Conditions | Yield |
---|---|
With nitric acid |
D-glucaric acid
Conditions | Yield |
---|---|
With bromine |
2-amino-hexanetetrol-(3,4,5,6)-al-(1); hydrochloride
D-glucaric acid
Conditions | Yield |
---|---|
Desaminierung und nachfolgende Oxydation mit Salpetersaeure; |
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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