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| CAS No.: | 5978-95-0 |
|---|---|
| Name: | D-Idose |
| Article Data: | 86 |
| Molecular Structure: | |
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| Formula: | C6H12O6 |
| Molecular Weight: | 180.158 |
| Synonyms: | Idose, D-(8CI); |
| EINECS: | 227-780-7 |
| Density: | 1.581 g/cm3 |
| Boiling Point: | 527.1 °C at 760 mmHg |
| Flash Point: | 286.7 °C |
| Safety: | 24/25 |
| PSA: | 110.38000 |
| LogP: | -3.22140 |
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1-deoxy-1-nitro-D-ido-hexitol
- 5978-95-0
D-idose
| Conditions | Yield |
|---|---|
| With sodium hydroxide; sulfuric acid In water at 10 - 20℃; for 1h; | 68% |
| Conditions | Yield |
|---|---|
| Stage #1: D-Sorbose With 2-aminopyridine; acetic acid at 90℃; Lobry de Bruyn-van Ekenstein transformation; Sealed tube; Stage #2: 2-aminopyridine With acetic acid at 90℃; Sealed tube; Stage #3: With trifluoroacetic acid at 70℃; for 1h; | A 10% B 16% |
- 16299-15-3
1,2,3,4,6,-penta-O-acetyl-α-D-idopyranose
- 5978-95-0
D-idose
| Conditions | Yield |
|---|---|
| With methanol; barium dihydroxide |
- 41847-67-0
α-D-idofuranose
- 5978-95-0
D-idose
| Conditions | Yield |
|---|---|
| With potassium chloride In water-d2 at 40℃; Rate constant; pH 2 (HCl); |
- 40461-75-4
β-D-idofuranose
- 5978-95-0
D-idose
| Conditions | Yield |
|---|---|
| With potassium chloride In water-d2 at 40℃; Rate constant; pH 2 (HCl); |
| Conditions | Yield |
|---|---|
| With potassium chloride In water-d2 at 40℃; Rate constant; pH 2 (HCl); |
| Conditions | Yield |
|---|---|
| With potassium chloride In water-d2 at 40℃; Rate constant; pH 2 (HCl); |
| Conditions | Yield |
|---|---|
| With 4-methylmorpholine N-oxide at 110℃; Product distribution; |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 75 percent / Na / methanol / 16 h / 20 °C 2: 68 percent / 1M NaOH, 8M H2SO4 / H2O / 1 h / 10 - 20 °C View Scheme |
| Conditions | Yield |
|---|---|
| With potassium cyanide |
- Total:20 Page 1 of 1 1
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Specification
The D-Idose, with the CAS registry number 5978-95-0, is also known as D-Ido-hexose. Its EINECS registry number is 227-780-7. This chemical's molecular formula is C6H12O6 and molecular weight is 180.1559. Its systematic name is called D-idose .
Physical properties of D-Idose: (1)ACD/LogP: -3.17; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -3.17; (4)ACD/LogD (pH 7.4): -3.17; (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: 6; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 10; (12)Index of Refraction: 1.573; (13)Molar Refractivity: 37.54 cm3; (14)Molar Volume: 113.9 cm3; (15)Surface Tension: 92 dyne/cm; (16)Density: 1.581 g/cm3; (17)Flash Point: 286.7 °C; (18)Enthalpy of Vaporization: 92.22 kJ/mol; (19)Boiling Point: 527.1 °C at 760 mmHg; (20)Vapour Pressure: 2.59E-13 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)CO
(2)InChI: InChI=1/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4-,5+,6+/m1/s1
(3)InChIKey: GZCGUPFRVQAUEE-ZXXMMSQZBN