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| CAS No.: | 95061-47-5 |
|---|---|
| Name: | (R)-(+)-2-HYDROXY-1,2,2-TRIPHENYLETHYL ACETATE |
| Molecular Structure: | |
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| Formula: | C22H20O3 |
| Molecular Weight: | 332.399 |
| Synonyms: | 1,2-Ethanediol,1,1,2-triphenyl-, 2-acetate, (R)-;(R)-(+)-HYTRA; |
| Density: | 1.18 g/cm3 |
| Melting Point: | 237-240 °C(lit.) |
| Boiling Point: | 487.647 °C at 760 mmHg |
| Flash Point: | 197.557 °C |
| Appearance: | white to light yellow crystal powder |
| Safety: | 24/25 |
| PSA: | 46.53000 |
| LogP: | 4.22690 |
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Specification
The IUPAC name of 1,2-Ethanediol,1,1,2-triphenyl-, 2-acetate, (2R)- is [(1R)-2-hydroxy-1,2,2-triphenylethyl] acetate. With the CAS registry number 95061-47-5, it is also named as (R)-(+)-1,1,2-Triphenyl-1,2-ethanediol 2-acetate. The product's categories are Chiral; Chiral Compound; Chiral Building Blocks; Esters; Organic Building Blocks. It is white to light yellow crystal powder which is stable under normal temperature and pressure. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.
The other characteristics of 1,2-Ethanediol,1,1,2-triphenyl-, 2-acetate, (2R)- 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: 38.38×10-24 cm3; (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. InChI: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-/m1/s1
3. InChIKey:GXLZCXZLVDUDHP-OAQYLSRUBP
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-/m1/s1
5. Std. InChIKey:GXLZCXZLVDUDHP-OAQYLSRUSA-N