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| CAS No.: | 17598-82-2 |
|---|---|
| Name: | L-Tagatose |
| Article Data: | 65 |
| Molecular Structure: | |
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| Formula: | C6H12O6 |
| Molecular Weight: | 180.158 |
| Synonyms: | L-lyxo-2-Hexulose; |
| Density: | 1.589 g/cm3 |
| Melting Point: | 131 °C |
| Boiling Point: | 551.742 °C at 760 mmHg |
| Flash Point: | 301.544 °C |
| Solubility: | Soluble in water |
| PSA: | 110.38000 |
| LogP: | -3.21980 |
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Specification
The L-Tagatose, with the CAS registry number 17598-82-2, is also known as L-lyxo-2-Hexulose. It belongs to the product categories of Basic Sugars (Mono & Oligosaccharides); Biochemistry; Sugars; Tagatose. This chemical's molecular formula is C6H12O6 and molecular weight is 180.16. What's more, its systematic name is also L-tagatose.
Physical properties of L-Tagatose are: (1)ACD/LogP: -1.03; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3; (8)ACD/KOC (pH 7.4): 3; (9)#H bond acceptors: 6; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 118.22 Å2; (13)Index of Refraction: 1.574; (14)Molar Refractivity: 37.426 cm3; (15)Molar Volume: 113.355 cm3; (16)Polarizability: 14.837×10-24cm3; (17)Surface Tension: 92.697 dyne/cm; (18)Density: 1.589 g/cm3; (19)Flash Point: 301.544 °C; (20)Enthalpy of Vaporization: 95.647 kJ/mol; (21)Boiling Point: 551.742 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C([C@H](O)[C@H](O)[C@@H](O)CO)CO
(2)InChI: InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5+,6-/m0/s1
(3)InChIKey: BJHIKXHVCXFQLS-LFRDXLMFSA-N