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| CAS No.: | 30237-26-4 |
|---|---|
| Name: | Fructose |
| Molecular Structure: | |
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| Formula: | C6H12O6 |
| Molecular Weight: | 180.158 |
| Synonyms: | (3S,4R,5R)-1,3,4,5,6-Pentahydroxy-2-hexanon;D-fructose;D-(-)-FRUCTOSE;keto-D-fructose;Fruit sugar; |
| Density: | 1.589 g/cm3 |
| Melting Point: | 129-130℃ |
| Boiling Point: | 551.7 °C at 760 mmHg |
| Flash Point: | 301.5 °C |
| PSA: | 118.22000 |
| LogP: | -3.37720 |
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- Total:20 Page 1 of 1 1
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Specification
The Fructose, with the CAS registry number 30237-26-4, has the systematic name of D-fructose. It is one of the three important dietary monosaccharides along with glucose and galactose, and it is always used as a preservative and an intravenous infusion in parenteral feeding. Fructose is a white solid that dissolves in water, and it is the most water-soluble of all the sugars. And the molecular formula of the chemical is C6H12O6.
The characteristics of Fructose are as followings: (1)ACD/LogP: -1.63; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1.63; (4)ACD/LogD (pH 7.4): -1.63; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.1; (8)ACD/KOC (pH 7.4): 3.09; (9)#H bond acceptors: 6; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 63.22 Å2; (13)Index of Refraction: 1.574; (14)Molar Refractivity: 37.42 cm3; (15)Molar Volume: 113.3 cm3; (16)Polarizability: 14.83×10-24cm3; (17)Surface Tension: 92.6 dyne/cm; (18)Density: 1.589 g/cm3; (19)Flash Point: 301.5 °C; (20)Enthalpy of Vaporization: 95.65 kJ/mol; (21)Boiling Point: 551.7 °C at 760 mmHg; (22)Vapour Pressure: 1.79E-14 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C([C@@H](O)[C@H](O)[C@H](O)CO)CO
(2)InChI: InChI=1/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5-,6-/m1/s1
(3)InChIKey: BJHIKXHVCXFQLS-UYFOZJQFBH