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| CAS No.: | 534-73-6 |
|---|---|
| Name: | 6-O-ALPHA-D-GLUCOPYRANOSYL-D-GLUCITOL |
| Article Data: | 10 |
| Molecular Structure: | |
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| Formula: | C12H24O11 |
| Molecular Weight: | 344.316 |
| Synonyms: | Glucitol,6-O-a-D-glucopyranosyl-, D- (8CI);Isomaltitol (6CI);1,6-GPS;6-O-a-D-Glucopyranosyl-D-glucitol;6-O-a-D-Glucopyranosyl-D-sorbitol; |
| EINECS: | 208-605-3 |
| Density: | 1.69g/cm3 |
| Melting Point: | 165.5-167 °C |
| Boiling Point: | 788.5 °C at 760 mmHg |
| Flash Point: | 430.7 °C |
| PSA: | 200.53000 |
| LogP: | -5.76120 |
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Specification
The D-Glucitol, 6-O-α-D-glucopyranosyl-, with CAS registry number 534-73-6, has the systematic name of 6-O-α-D-glucopyranosyl-D-glucitol. This chemical should be stored at the temperature of −20°C. And the main use of this chemical is for low-caloric sweetener, filler and anticaking agent. What's more, its EINECS is 208-605-3.
Physical properties of D-Glucitol, 6-O-α-D-glucopyranosyl-: (1)ACD/LogP: -5.72; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -5.72; (4)ACD/LogD (pH 7.4): -5.72; (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: 11; (10)#H bond donors: 9; (11)#Freely Rotating Bonds: 17; (12)Polar Surface Area: 101.53 Å2; (13)Index of Refraction: 1.634; (14)Molar Refractivity: 72.66 cm3; (15)Molar Volume: 203.1 cm3; (16)Polarizability: 28.8×10-24cm3; (17)Surface Tension: 109.2 dyne/cm; (18)Density: 1.69 g/cm3; (19)Flash Point: 430.7 °C; (20)Enthalpy of Vaporization: 130.71 kJ/mol; (21)Boiling Point: 788.5 °C at 760 mmHg; (22)Vapour Pressure: 9.8E-29 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)[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO
(2)InChI: InChI=1/C12H24O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h4-21H,1-3H2/t4-,5+,6+,7+,8+,9+,10-,11+,12-/m0/s1
(3)InChIKey: SERLAGPUMNYUCK-YJOKQAJEBE
(4)Std. InChI: InChI=1S/C12H24O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h4-21H,1-3H2/t4-,5+,6+,7+,8+,9+,10-,11+,12-/m0/s1
(5)Std. InChIKey: SERLAGPUMNYUCK-YJOKQAJESA-N