L-xylo-2-Hexulosonicacid, hydrate (9CI) (342385-52-8)

The 2-Keto-L-gulonic acid is an organic compound with the formula C₆H₁₀O₇. The systematic name of this chemical is D-tagatosonic acid. With the CAS registry number 342385-52-8, it is also named as D-tagatosonic acid. The product's categories are Carbohydrate Synthesis; Monosaccharides; Specialty Synthesis. Besides, it is a beige crystalline powder, which should be stored in a closed, cool, dry place.

Physical properties about 2-Keto-L-gulonic acid are: (1)# of Rule of 5 Violations: 1; (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: 7; (7)#H bond donors: 5; (8)#Freely Rotating Bonds: 9; (9)Polar Surface Area: 135.29 Å²; (10)Index of Refraction: 1.593; (11)Molar Refractivity: 37.45 cm³; (12)Molar Volume: 110.4 cm³; (13)Polarizability: 14.84×10^-24cm³; (14)Surface Tension: 108.7 dyne/cm; (15)Density: 1.757 g/cm³; (16)Flash Point: 300.9 °C; (17)Enthalpy of Vaporization: 95.49 kJ/mol; (18)Boiling Point: 550.6 °C at 760 mmHg; (19)Vapour Pressure: 2.04E-14 mmHg at 25°C.

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, gloves and eye/face protection. 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: O[C@H](C(=O)C(O)=O)[C@@H](O)[C@H](O)CO
(2)InChI: InChI=1/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-4,7-10H,1H2,(H,12,13)/t2-,3+,4+/m1/s1
(3)InChIKey: VBUYCZFBVCCYFD-UZBSEBFBBT
(4)Std. InChI: InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-4,7-10H,1H2,(H,12,13)/t2-,3+,4+/m1/s1
(5)Std. InChIKey: VBUYCZFBVCCYFD-UZBSEBFBSA-N