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87-73-0

Basic Information
CAS No.: 87-73-0
Name: D-SACCHARIC ACID CALCIUM SALT
Article Data: 111
Molecular Structure:
Molecular Structure of 87-73-0 (D-SACCHARIC ACID CALCIUM SALT)
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
Synthetic route
50-99-7

D-glucose

87-73-0

D-glucaric acid

Conditions
ConditionsYield
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
ConditionsYield
With H(1+) resin Rexyn 100(H) In water for 3h; lactonization;A n/a
B n/a
C 69.1%
2280-44-6

D-Glucose

87-73-0

D-glucaric acid

Conditions
ConditionsYield
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%
50-99-7

D-glucose

A

64-18-6

formic acid

B

526-95-4

gluconic acid

C

87-73-0

D-glucaric acid

Conditions
ConditionsYield
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;
50-99-7

D-glucose

A

526-95-4

gluconic acid

B

87-73-0

D-glucaric acid

Conditions
ConditionsYield
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;
526-95-4

gluconic acid

87-73-0

D-glucaric acid

Conditions
ConditionsYield
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
ConditionsYield
With nitric acid
Conditions
ConditionsYield
Desaminierung und nachfolgende Oxydation mit Salpetersaeure;
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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