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| CAS No.: | 551-68-8 |
|---|---|
| Name: | D-Psicose |
| Article Data: | 102 |
| Molecular Structure: | |
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| Formula: | C6H12O6 |
| Molecular Weight: | 180.158 |
| Synonyms: | Psicose, D-(8CI);D-Allulose;D-ribo-2-Hexulose;D-Erythrohexulose;D-ribo-2-Ketohexose;D-Ribohexulose;Pseudofructose;Allulose; |
| EINECS: | 208-999-7 |
| Density: | 1.589 g/cm3 |
| Melting Point: | 109 °C |
| Boiling Point: | 551.7 °C at 760 mmHg |
| Flash Point: | 301.5 °C |
| Solubility: | Soluble in water, methanol, ethanol. Practically insol in acetone. |
| Appearance: | Sweet syrupy liquid |
| Safety: | 3 |
| PSA: | 118.22000 |
| LogP: | -3.37720 |
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- 551-68-8
D-psicose
| Conditions | Yield |
|---|---|
| With Dowex 50W-X2-200 In water | 100% |
| Conditions | Yield |
|---|---|
| With immobilized D-psicose epimerase from Corynebacterium glutamicum KCCM 11046 In water at 30 - 50℃; Enzymatic reaction; | 75% |
| With triethylamine In ethanol for 15h; Heating; Yield given; | |
| With D-tagatose 3-epimerase at 25℃; Enzymatic reaction; |
| Conditions | Yield |
|---|---|
| With recombinant Escherichia coli strain RhuA-Y; isopropyl β-D-thiogalactopyranoside for 20h; Enzymatic reaction; Overall yield = 35.6 %; Overall yield = 960 mg; diastereoselective reaction; | A 10.4% B 10.6% |
| With recombinant Escherichia coli strain FucA-Y; isopropyl β-D-thiogalactopyranoside for 20h; Enzymatic reaction; Overall yield = 35.6 %; Overall yield = 960 mg; diastereoselective reaction; | A n/a B n/a |
| Conditions | Yield |
|---|---|
| With ammonium hydroxide |
| Conditions | Yield |
|---|---|
| With pyridine |
- 98574-01-7
Penta-O-acetyl-keto-D-psicose
- 551-68-8
D-psicose
| Conditions | Yield |
|---|---|
| With barium dihydroxide; water |
- 551-68-8
D-psicose
| Conditions | Yield |
|---|---|
| With sulfuric acid Behandeln des (mit Hilfe von Bariumcarbonat) von Sulfat-Ionen befreiten Reaktionsgemisches mit wss.Natronlauge; |
- 3458-28-4
D-Mannose
A
- 79-14-1
glycolic Acid
B
- 849585-22-4
LACTIC ACID
C
- 57-48-7
D-Fructose
D
- 551-68-8
D-psicose
E
- 50-99-7
D-glucose
F
- 64-19-7
acetic acid
| Conditions | Yield |
|---|---|
| With potassium hydroxide In water at 78℃; for 0.333333h; Rate constant; Product distribution; Mechanism; isomerization equilibrium; degradation to acids; varying time, OH(1-) concentration 0.001 M to O.1 M; also in presence of Ca(2+) up to 0.06 M; |
- 50-99-7
D-glucose
A
- 79-14-1
glycolic Acid
B
- 849585-22-4
LACTIC ACID
C
- 57-48-7
D-Fructose
D
- 3458-28-4
D-Mannose
E
- 551-68-8
D-psicose
F
- 64-19-7
acetic acid
| Conditions | Yield |
|---|---|
| With potassium hydroxide In water at 78℃; for 0.333333h; Rate constant; Product distribution; Mechanism; isomerization equilibrium; degradation to acids; varying time, OH(1-) concentration 0.001 M to O.1 M; also in presence of Ca(2+) up to 0.06 M; |
| Conditions | Yield |
|---|---|
| With potassium hydroxide In water at 25℃; for 336h; Product distribution; Kinetics; |
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Specification
The D-Psicose, with the CAS registry number 551-68-8 and EINECS registry number 208-999-7, is also called D-Erythrohexulose. It belongs to the following product categories: Basic Sugars (Mono & Oligosaccharides); Biochemistry; Psicose; Sugars; Carbohydrate LibraryCarbohydrates; Carbohydrates; Carbohydrates A to; Carbohydrates P-ZBiochemicals and Reagents; Metabolic Libraries; Metabolomics; Monosaccharide. And the molecular formula of the chemical is C6H12O6. What's more, it can be prepared by glucose, and it mainly used in chemical and biological chemical research.
The characteristics of D-Psicose are as followings: (1)ACD/LogP: -1.63; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1.63; (4)ACD/LogD (pH 7.4): -1.63; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.1; (8)ACD/KOC (pH 7.4): 3.09; (9)#H bond acceptors: 6; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 63.22 Å2; (13)Index of Refraction: 1.574; (14)Molar Refractivity: 37.42 cm3; (15)Molar Volume: 113.3 cm3; (16)Polarizability: 14.83×10-24cm3; (17)Surface Tension: 92.6 dyne/cm; (18)Density: 1.589 g/cm3; (19)Flash Point: 301.5 °C; (20)Enthalpy of Vaporization: 95.65 kJ/mol; (21)Boiling Point: 551.7 °C at 760 mmHg; (22)Vapour Pressure: 1.79E-14 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C([C@H](O)[C@H](O)[C@H](O)CO)CO
(2)InChI: InChI=1/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5-,6+/m1/s1
(3)InChIKey: BJHIKXHVCXFQLS-PUFIMZNGBH