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L-xylo-2-Hexulosonicacid

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Name

L-xylo-2-Hexulosonicacid

EINECS 208-403-5
CAS No. 526-98-7 Density 1.757g/cm3
PSA 135.29000 LogP -3.28490
Solubility 335.3g/L at 20℃ Melting Point 171 °C
Formula C6H10O7 Boiling Point 550.6 °C at 760 mmHg
Molecular Weight 194.141 Flash Point 300.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 526-98-7 (L-xylo-hex-2-ulosonic acid) Hazard Symbols N/A
Synonyms

Gulonicacid, 2-keto-, L- (6CI);L-xylo-Hexulosonic acid (7CI,8CI);Idonic acid,2-keto-, L- (6CI);2-Keto-L-gulonic acid;2-Keto-L-idonic acid;

Article Data 44

L-xylo-2-Hexulosonicacid Synthetic route

67-56-1

methanol

87-79-6

L-sorbose

142-71-2

copper diacetate

526-98-7

2-keto-L-gulonic acid

Conditions
ConditionsYield
Behandeln einer wss.Loesung des von Kupfer-Ionen befreiten Reaktionsprodukts mit Brom;
87-79-6

L-sorbose

526-98-7

2-keto-L-gulonic acid

Conditions
ConditionsYield
With oxygen; Pt/Al2O3 at 50℃; under 750.06 Torr; for 2.86667h; other catalysts; var. reaction time;39 % Chromat.
With hexamethylenetetramine; oxygen; platinum on activated charcoal In water at 50℃; under 750.06 Torr; Product distribution; Kinetics; var. of pH, base, catalyst;
With pyridine; oxygen; Pt/Al2O3 In water at 50℃; under 750.06 Torr; Rate constant; var. tertiary amines or tetraalkylammonium hydroxide, var. supports of Pt catalyst;
49865-02-3

L-sorbosone

526-98-7

2-keto-L-gulonic acid

Conditions
ConditionsYield
With water; bromine im diffusen Licht;
52507-87-6

O2,O3;O4,O6-dicyclohexylidene-α-L-xylo-[2]hexulofuranosonic acid

526-98-7

2-keto-L-gulonic acid

Conditions
ConditionsYield
With water
With water
6027-87-8

sodium gluconate

526-98-7

2-keto-L-gulonic acid

Conditions
ConditionsYield
With sodium chlorate; vanadia
50-70-4

D-sorbitol

A

1114-17-6

L-idonic acid

B

526-98-7

2-keto-L-gulonic acid

Conditions
ConditionsYield
Gluconobacter melanogenus IFO 3293 mutant; Yield given. Yields of byproduct given. Title compound not separated from byproducts;
50-70-4

D-sorbitol

526-98-7

2-keto-L-gulonic acid

Conditions
ConditionsYield
Gluconobacter melanogenus IFO 3293 mutant; Yield given;
Multi-step reaction with 3 steps
1: 31 percent
2: 46 percent / NaI, Ca(OH)2 / H2O / 1 h / 20 °C / anode - platinum, cathode - stainless steel
3: 0.1N aq. HCl / 1 h / 90 °C
View Scheme
87-79-6

L-sorbose

A

1114-17-6

L-idonic acid

B

526-98-7

2-keto-L-gulonic acid

Conditions
ConditionsYield
Gluconobacter melanogenus IFO 3293 mutant; Yield given. Yields of byproduct given. Title compound not separated from byproducts;
136090-58-9

3,5,4,6-diethylidene-L-xylo-2-hexulosonic acid

526-98-7

2-keto-L-gulonic acid

Conditions
ConditionsYield
With hydrogenchloride at 90℃; for 1h;
2595-33-7

2,5-diketo-D-gluconic acid

A

669-90-9

fructonic acid

B

526-98-7

2-keto-L-gulonic acid

C

13425-76-8

D-lyxo-hex-5-ulosonic acid

D

5287-64-9

5-keto-D-gluconic acid

Conditions
ConditionsYield
With Ru-TPPTS; sulfuric acid; hydrogen; sodium iodide In water at 27℃; under 7500.6 Torr; for 8h; Product distribution; other pH, temperature, reaction time, hydrogen pressure, catalyst amount;

L-xylo-2-Hexulosonicacid Specification

The L-xylo-2-Hexulosonicacid, with CAS registry number 526-98-7, has the systematic name of L-sorbosonic acid. Besides this, it is also called L-xylo-hex-2-ulosonic acid. And the chemical formula of this chemical is C6H10O7. What's more, its EINECS is 208-403-5.

Physical properties of L-xylo-2-Hexulosonicacid: (1)ACD/LogP: -2.82; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -6.13; (4)ACD/LogD (pH 7.4): -6.56; (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: 7; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 80.29 Å2; (13)Index of Refraction: 1.593; (14)Molar Refractivity: 37.45 cm3; (15)Molar Volume: 110.4 cm3; (16)Polarizability: 14.84×10-24cm3; (17)Surface Tension: 108.7 dyne/cm; (18)Density: 1.757 g/cm3; (19)Flash Point: 300.9 °C; (20)Enthalpy of Vaporization: 95.49 kJ/mol; (21)Boiling Point: 550.6 °C at 760 mmHg; (22)Vapour Pressure: 2.04E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(=O)[C@@H](O)[C@H](O)[C@@H](O)CO
(2)InChI: InChI=1/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-4,7-10H,1H2,(H,12,13)/t2-,3+,4-/m0/s1
(3)InChIKey: VBUYCZFBVCCYFD-NUNKFHFFBO
(4)Std. InChI: InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-4,7-10H,1H2,(H,12,13)/t2-,3+,4-/m0/s1
(5)Std. InChIKey: VBUYCZFBVCCYFD-NUNKFHFFSA-N

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