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5978-95-0

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Basic Information
CAS No.: 5978-95-0
Name: D-Idose
Article Data: 86
Molecular Structure:
Molecular Structure of 5978-95-0 (D-Idose)
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
Synthetic route
96613-89-7

1-deoxy-1-nitro-D-ido-hexitol

5978-95-0

D-idose

Conditions
ConditionsYield
With sodium hydroxide; sulfuric acid In water at 10 - 20℃; for 1h;68%
504-29-0

2-aminopyridine

3615-56-3

D-Sorbose

A

5978-95-0

D-idose

B

4205-23-6

D-gulose

Conditions
ConditionsYield
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
ConditionsYield
With methanol; barium dihydroxide
41847-67-0

α-D-idofuranose

5978-95-0

D-idose

Conditions
ConditionsYield
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
ConditionsYield
With potassium chloride In water-d2 at 40℃; Rate constant; pH 2 (HCl);
7283-02-5

β-D-idopyranose

5978-95-0

D-idose

Conditions
ConditionsYield
With potassium chloride In water-d2 at 40℃; Rate constant; pH 2 (HCl);
7282-82-8

α-D-idopyranose

5978-95-0

D-idose

Conditions
ConditionsYield
With potassium chloride In water-d2 at 40℃; Rate constant; pH 2 (HCl);
59-23-4

D-Galactose

A

50-99-7

D-glucose

B

2595-98-4

D-talose

C

5978-95-0

D-idose

D

4205-23-6

D-gulose

Conditions
ConditionsYield
With 4-methylmorpholine N-oxide at 110℃; Product distribution;
58-86-6

D-xylose

hydroxylamine hydrochloride

hydroxylamine hydrochloride

5978-95-0

D-idose

Conditions
ConditionsYield
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
6763-34-4

D-xylose

5978-95-0

D-idose

Conditions
ConditionsYield
With potassium cyanide
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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