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Cas Database

Name	D-Idose	EINECS	227-780-7
CAS No.	5978-95-0	Density	1.581 g/cm³
PSA	110.38000	LogP	-3.22140
Solubility	N/A	Melting Point	N/A
Formula	C₆H₁₂O₆	Boiling Point	527.1 °C at 760 mmHg
Molecular Weight	180.158	Flash Point	286.7 °C
Transport Information	N/A	Appearance	N/A
Safety	24/25	Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	Idose, D-(8CI);	Article Data	86

D-Idose Synthetic route

: 96613-89-7
1-deoxy-1-nitro-D-ido-hexitol

: 5978-95-0
D-idose

Conditions

Conditions	Yield
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

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

Conditions	Yield
With methanol; barium dihydroxide

: 41847-67-0
α-D-idofuranose

: 5978-95-0
D-idose

Conditions

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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
With 4-methylmorpholine N-oxide at 110℃; Product distribution;

: 58-86-6
D-xylose

hydroxylamine hydrochloride: hydroxylamine hydrochloride

: 5978-95-0
D-idose

Conditions

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

: 6763-34-4
D-xylose

: 5978-95-0
D-idose

Conditions

Conditions	Yield
With potassium cyanide

D-Idose 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

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