1,3-Butanediol,2-amino-, (2S,3S)- (44520-55-0)

The D-Threoninol, with the CAS registry number 44520-55-0, has the systematic name of 2S,3S)-2-aminobutane-1,3-diol. It is a kind of  white crystalline powder, and belongs to the following product categories: Amino alcohols; Amino Acid Derivatives; Peptide Synthesis. What's more, it should be stored in the dry sealed containers, and the storage temperature should below -20°C. The molecular formula of the chemical is C₄H₁₁NO₂.

The characteristics of D-Threoninol are as followings: (1)ACD/LogP: -1.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.25; (4)ACD/LogD (pH 7.4): -3.61; (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: 3; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 21.7 Å²; (13)Index of Refraction: 1.488; (14)Molar Refractivity: 27.1 cm³; (15)Molar Volume: 94 cm³; (16)Polarizability: 10.74×10^-24cm³; (17)Surface Tension: 48.8 dyne/cm; (18)Density: 1.118 g/cm³; (19)Flash Point: 109.7 °C; (20)Enthalpy of Vaporization: 57.54 kJ/mol; (21)Boiling Point: 257.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00212 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O[C@@H](C)[C@@H](N)CO
(2)InChI: InChI=1/C4H11NO2/c1-3(7)4(5)2-6/h3-4,6-7H,2,5H2,1H3/t3-,4-/m0/s1
(3)InChIKey: MUVQIIBPDFTEKM-IMJSIDKUBG