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D-ribo-Hexose,2,6-dideoxy-
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Name

D-ribo-Hexose,2,6-dideoxy-

 EINECS 208-416-6
CAS No. 527-52-6 Density 1.366g/cm3
PSA 69.92000 LogP -1.16460
Solubility N/A Melting Point 98-100 °C
Formula C6H12O4 Boiling Point 320.1 °C at 760 mmHg
Molecular Weight 148.159 Flash Point 147.4 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 527-52-6 (D-(+)-DIGITOXOSE) Hazard Symbols N/A
Synonyms

Digitoxose(6CI,7CI,8CI);(+)-Digitoxose;2,6-Dideoxy-D-altrose;2,6-Dideoxy-D-ribo-hexose;D-Digitoxose;NSC 87513;

Article Data 44

D-ribo-Hexose,2,6-dideoxy- Synthetic route

4092-45-9, 13322-79-7, 17676-16-3, 17676-19-6, 19131-10-3, 19131-11-4, 33985-35-2, 40878-56-6, 53293-94-0, 56733-47-2, 62346-15-0, 71305-70-9, 72204-04-7, 77210-24-3, 78853-88-0, 92007-64-2, 133814-52-5, 139756-72-2

methyl 2,6-dideoxy-α-D-ribo-hexopyranoside

527-52-6

D-digitxose

Conditions
ConditionsYield
With sulfuric acid
7664-93-9

sulfuric acid

69515-54-4

(2R,3S,4S)-2-methyl-3,4-dihydro-2H-pyran-3,4-diol

A

527-52-6

D-digitxose

B

compound C6H12O4

compound C6H12O4

19855-40-4

digitoxigen (β-D-glucopyranosyl)-(1→4)-(2,6-dideoxy-β-D-ribohexopyranosyl)-(1→4)-(2,6-dideoxy-β-D-ribohexopyranosyl)-(1→4)-2,6-dideoxy-β-D-ribohexopyranoside

aqueous methanol. sulfuric acid

aqueous methanol. sulfuric acid

A

527-52-6

D-digitxose

B

143-62-4

(+)-digitoxigenin

C

digilanidobiose

digilanidobiose

17575-20-1

Digitoxigenin 3-O-bisdigitoxosideacetyldigilanidobioside, or lanatoside A

diluted aq.-ethanolic sulfuric acid

diluted aq.-ethanolic sulfuric acid

A

527-52-6

D-digitxose

B

143-62-4

(+)-digitoxigenin

C

digilanidobiose

digilanidobiose

Conditions
ConditionsYield
at 40℃; anschliessendes Behandeln mit verd. wss. Schwefelsaeure;
7647-01-0

hydrogenchloride

64-17-5

ethanol

7732-18-5

water

4562-36-1

gitoxin

A

527-52-6

D-digitxose

B

gitoxigenin

gitoxigenin

...Expand
7647-01-0

hydrogenchloride

19855-39-1

gitoxigenin 3-O-β-D-glucopyranosyl-(1→4)-β-D-digitoxopyranosyl-(1→4)-β-D-digitoxopyranosyl-(1→4)-β-D-digitoxopyranoside

A

527-52-6

D-digitxose

B

gitoxigenin

gitoxigenin

C

digilanidobiose

digilanidobiose

121576-17-8

O4'-β-Cellobiosyl-gitoxin

aqueous methanol. sulfuric acid

aqueous methanol. sulfuric acid

A

527-52-6

D-digitxose

B

gitoxin

gitoxin

C

digilanidotriose

digilanidotriose

17575-20-1

Digitoxigenin 3-O-bisdigitoxosideacetyldigilanidobioside, or lanatoside A

diluted aqueous methanol. hydrochloric acid

diluted aqueous methanol. hydrochloric acid

A

527-52-6

D-digitxose

B

143-62-4

(+)-digitoxigenin

C

O3-acetyl-digilanidobiose

O3-acetyl-digilanidobiose

Conditions
ConditionsYield
anschliessendes Behandeln mit verd. wss. Salzsaeure;
(2R)-2r-methyl-3,4-dihydro-2H-pyran-3t,4t-diol

(2R)-2r-methyl-3,4-dihydro-2H-pyran-3t,4t-diol

527-52-6

D-digitxose

Conditions
ConditionsYield
With sulfuric acid
71811-64-8

Methyl 2,3-anhydro-4,6-bis-α-D-allopyranoside

A

527-52-6

D-digitxose

B

potassium iodide

potassium iodide

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: lithium alanate; tetrahydrofuran
2: aqueous sulfuric acid
View Scheme

D-ribo-Hexose,2,6-dideoxy- Specification

The D-ribo-Hexose,2,6-dideoxy-, with CAS registry number 527-52-6, belongs to the following product category: Dextrins、Sugar & Carbohydrates. It has the systematic name of 2,6-dideoxy-β-D-ribo-hexopyranose. Besides this, it is also called D-(+)-Digitoxose. And the chemical formula of this chemical is C6H12O4. What's more, its EINECS is 208-416-6.

Physical properties of D-ribo-Hexose,2,6-dideoxy-: (1)ACD/LogP: -1.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.49; (4)ACD/LogD (pH 7.4): -1.49; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.69; (8)ACD/KOC (pH 7.4): 3.69; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 36.92 Å2; (13)Index of Refraction: 1.542; (14)Molar Refractivity: 34.14 cm3; (15)Molar Volume: 108.4 cm3; (16)Polarizability: 13.53×10-24cm3; (17)Surface Tension: 47.2 dyne/cm; (18)Density: 1.366 g/cm3; (19)Flash Point: 147.4 °C; (20)Enthalpy of Vaporization: 65.11 kJ/mol; (21)Boiling Point: 320.1 °C at 760 mmHg; (22)Vapour Pressure: 2.64E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: O[C@@H]1[C@H](O[C@@H](O)C[C@@H]1O)C
(2)InChI: InChI=1/C6H12O4/c1-3-6(9)4(7)2-5(8)10-3/h3-9H,2H2,1H3/t3-,4+,5-,6-/m1/s1
(3)InChIKey: FDWRIIDFYSUTDP-JGWLITMVBE
(4)Std. InChI: InChI=1S/C6H12O4/c1-3-6(9)4(7)2-5(8)10-3/h3-9H,2H2,1H3/t3-,4+,5-,6-/m1/s1
(5)Std. InChIKey: FDWRIIDFYSUTDP-JGWLITMVSA-N

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