Hazard Codes | Xi |
Risk Statements | 36/37/38 |
Safety Statements | 26-36 |
WGK Germany | 3 |
F | 10-21 |
The 5-O-tert-Butyldimethylsilyl-2, 3-O-isopropylidene-D-lyxono-1, 4-lactone with CAS registry number of 75467-36-6, belongs to the classes of Carbohydrate Synthesis; Monosaccharides; Specialty Synthesis. This chemical is also known as (3aR,6R,6aR)-6-({[tert-butyl(dimethyl) silyl]oxy}methyl)-2,2-dimethyldihydrofuro[3,4-d][1,3]dioxol-4(3aH)-one (non-preferred name) which is its systematic name.
The characteristics of this chemical are as followings: (1)ACD/LogP: 3.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 78; (6)ACD/BCF (pH 7.4): 78; (7)ACD/KOC (pH 5.5): 788; (8)ACD/KOC (pH 7.4): 788; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4;(12)Polar Surface Area: 53.99 Å2; (13)Index of Refraction: 1.447; (14)Molar Refractivity: 78.298 cm3; (15)Molar Volume: 293.246 cm3; (16)Polarizability: 31.04×10-24cm3; (17)Surface Tension: 26.414 dyne/cm; (18)Density: 1.031 g/cm3; (19Flash Point: 148.088 °C; (20)Enthalpy of Vaporization: 61.802 kJ/mol; (21)Boiling Point: 371.046 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You should be cautious while dealing with this chemical. Being a kind of irritant chemical, it irritates to eyes, respiratory system or skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, 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=C1O[C@@H]([C@H]2OC(O[C@@H]12)(C)C)CO[Si](C(C)(C)C)(C)C
(2)InChI: InChI=1/C14H26O5Si/c1-13(2,3)20(6,7)16-8-9-10-11(12(15)17-9)19-14(4,5)18-10/h9-11H,8H2,1-7H3/t9-,10-,11-/m1/s1
(3)InChIKey: VBPYRQYBEKHPKA-GMTAPVOTBT
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