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CAS No.: | 95061-51-1 |
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Name: | (S)-(-)-2-HYDROXY-1,2,2-TRIPHENYLETHYL ACETATE |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C22H20O3 |
Molecular Weight: | 332.399 |
Synonyms: | 1,2-Ethanediol,1,1,2-triphenyl-, 2-acetate, (S)-;(S)-(-)-2-Hydroxy-1,2,2-triphenyl acetate;(S)-(-)-HYTRA;(S)-1,1,2-Triphenyl-1,2-ethanediol 2-acetate;(S)-2-Acetoxy-1,1,2-triphenylethanol; |
Density: | 1.18 g/cm3 |
Melting Point: | 246-249 °C |
Boiling Point: | 487.647 °C at 760 mmHg |
Flash Point: | 197.557 °C |
Appearance: | white to light yellow crystal powder |
Safety: | 24/25 |
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The systematic name of 1,2-Ethanediol,1,1,2-triphenyl-, 2-acetate, (2S)- is (1S)-2-hydroxy-1,2,2-triphenylethyl acetate. With the CAS registry number 95061-51-1, it is also named as (S)-(-)-1,1,2-Triphenyl-1,2-ethandiol-2-acetate. The product's categories are Chiral; Chiral Compound. Besides, it is white to light yellow crystal powder which is stable under room temperature and pressure. In addition, its molecular formula is C22H20O3 and molecular weight is 332.39. When you are using this chemical, please avoid contact with skin and eyes.
The other characteristics of 1,2-Ethanediol,1,1,2-triphenyl-, 2-acetate, (2S)- can be summarized as: (1)ACD/LogP: 4.94; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 7; (6)Index of Refraction: 1.603; (7)Molar Refractivity: 96.83 cm3; (8)Molar Volume: 281.6 cm3; (9)Polarizability: 38.38×10-24cm3; (10)Surface Tension: 48.1 dyne/cm; (11)Enthalpy of Vaporization: 79.37 kJ/mol; (12)Vapour Pressure: 2.53E-10 mmHg at 25 °C; (13)Rotatable Bond Count: 6; (14)Exact Mass: 332.141245; (15)MonoIsotopic Mass: 332.141245; (16)Topological Polar Surface Area: 46.5; (17)Heavy Atom Count: 25; (18)Complexity: 397; (19)Defined Atom StereoCenter Count: 1.
People can use the following data to convert to the molecule structure.
(1) SMILES:O=C(O[C@@H](c1ccccc1)C(O)(c2ccccc2)c3ccccc3)C
(2)2InChI:InChI=1/C22H20O3/c1-17(23)25-21(18-11-5-2-6-12-18)22(24,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21,24H,1H3/t21-/m0/s1
(3) InChIKey:GXLZCXZLVDUDHP-NRFANRHFBC
(4)Std. InChI:InChI=1S/C22H20O3/c1-17(23)25-21(18-11-5-2-6-12-18)22(24,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21,24H,1H3/t21-/m0/s1
(5) Std. InChIKey:GXLZCXZLVDUDHP-NRFANRHFSA-N