The Cyclodextrin is an organic compound with the formula C36H60O30. The systematic name of this chemical is (1S, 3R, 5R, 6S, 8R, 10R, 11S, 13R, 15R, 16S, 18R, 20R, 21S, 23R, 25R, 26S, 28R, 30R, 31R, 32R, 33R, 34R, 35R, 36R, 37R, 38R, 39R, 40R, 41R, 42R)-5,10,15,20,25,30-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxahe ptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol (non-preferred name). With the CAS registry number 10016-20-3, it is also named as a-Schardinger Dextrin. The product's categories are Industrial/Fine Chemicals; Biochemistry; Cyclodextrins; Functional Materials; Macrocycles for Host-Guest Chemistry; Oligosaccharides; Sugars; Dextrins, Sugar & Carbohydrates. Besides, it is a white crystalline powder, which should be stored in a closed and dry palce.
In the food industry cyclodextrins are employed for the preparation of cholesterol free products. Other food applications further include the ability to stabilize volatile or unstable compounds and the reduction of unwanted tastes and odour. Reportedly cyclodextrins are used in alcohol powder, a powder for mixing alcoholic drinks.
Physical properties about Cyclodextrin are: (1)# of Rule of 5 Violations: 3; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 30; (7)#H bond donors: 18; (8)#Freely Rotating Bonds: 24; (9)Polar Surface Area: 474.9 Å2; (10)Index of Refraction: 1.591; (11)Molar Refractivity: 202.387 cm3; (12)Molar Volume: 598.936 cm3; (13)Polarizability: 80.232×10-24cm3; (14)Surface Tension: 73.864 dyne/cm; (15)Density: 1.624 g/cm3; (16)Flash Point: 807.051 °C; (17)Enthalpy of Vaporization: 241.394 kJ/mol; (18)Boiling Point: 1410.846 °C at 760 mmHg.
Uses of Cyclodextrin: it can be used to produce hexakis(6-deoxy-6-iodo)cyclomaltohexaose at temperature of 80 °C. It will need reagent iod, triphenylphosφne and solvent dimethylformamide with reaction time of 15 hours. The yield is about 80%.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: C([C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@H](O2)[C@@H]([C@H]7O)O)CO)CO)CO)CO)CO)O)O)O
(2)InChI: InChI=1/C36H60O30/c37-1-7-25-13(43)19(49)31(55-7)62-26-8(2-38)57-33(21(51)15(26)45)64-28-10(4-40)59-35(23(53)17(28)47)66-30-12(6-42)60-36(24(54)18(30)48)65-29-11(5-41)58-34(22(52)16(29)46)63-27-9(3-39)56-32(61-25)20(50)14(27)44/h7-54H,1-6H2/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-/m1/s1
(3)InChIKey: HFHDHCJBZVLPGP-RWMJIURBBY
(4)Std. InChI: InChI=1S/C36H60O30/c37-1-7-25-13(43)19(49)31(55-7)62-26-8(2-38)57-33(21(51)15(26)45)64-28-10(4-40)59-35(23(53)17(28)47)66-30-12(6-42)60-36(24(54)18(30)48)65-29-11(5-41)58-34(22(52)16(29)46)63-27-9(3-39)56-32(61-25)20(50)14(27)44/h7-54H,1-6H2/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-/m1/s1
(5)Std. InChIKey: HFHDHCJBZVLPGP-RWMJIURBSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
rat | LD50 | intraperitoneal | 1gm/kg (1000mg/kg) | | Oyo Yakuri. Pharmacometrics. Vol. 26, Pg. 287, 1983. |
rat | LD50 | intravenous | 788mg/kg (788mg/kg) | | American Journal of Pathology. Vol. 83, Pg. 367, 1976. |