D-Glucosamic acid

The CAS register number of D-Glucosamic acid is 3646-68-2. It also can be called as 2-Amino-2-deoxy-D-gluconic acid and the IUPAC name about this chemical is (2R,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanoic acid. The molecular formula about this chemical is C₆H₁₃NO₆ and the molecular weight is 195.17. It belongs to the following product categories which include Sugars, Carbohydrates & Glucosides; 13C & 2H Sugars; Aminosugars; Biochemistry; Glucose; Sugar Acids; Sugars; Dextrins, Sugar & Carbohydrates; Carbohydrates & Derivatives and so on. This chemical can be used as a useful starting material for the synthesis of aldonic acids containing a free carboxyl group and having all hydroxyl functions esterified with a simple carboxylic acid are well established deriviatives.

Physical properties about D-Glucosamic acid are: (1)ACD/LogP: -2.42; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -4.92; (4)ACD/LogD (pH 7.4): -4.92; (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: 7; (10)#H bond donors: 7; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 66.46Ų; (13)Index of Refraction: 1.613; (14)Molar Refractivity: 40.92 cm³; (15)Molar Volume: 117.4 cm³; (16)Polarizability: 16.22x10^-24cm³; (17)Surface Tension: 107.6 dyne/cm; (18)Enthalpy of Vaporization: 107.26 kJ/mol; (19)Boiling Point: 633.2 °C at 760 mmHg; (20)Vapour Pressure: 1.08E-18 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@H](N)[C@@H](O)[C@H](O)[C@H](O)CO
(2)InChI: InChI=1/C6H13NO6/c7-3(6(12)13)5(11)4(10)2(9)1-8/h2-5,8-11H,1,7H2,(H,12,13)/t2-,3-,4-,5-/m1/s1
(3)InChIKey: UFYKDFXCZBTLOO-TXICZTDVBW
(4)Std. InChI: InChI=1S/C6H13NO6/c7-3(6(12)13)5(11)4(10)2(9)1-8/h2-5,8-11H,1,7H2,(H,12,13)/t2-,3-,4-,5-/m1/s1
(5)Std. InChIKey: UFYKDFXCZBTLOO-TXICZTDVSA-N