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| CAS No.: | 93379-48-7 |
|---|---|
| Name: | (-)-Taddol |
| Article Data: | 21 |
| Molecular Structure: | |
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| Formula: | C31H30O4 |
| Molecular Weight: | 466.577 |
| Synonyms: | 1,3-Dioxolane-4,5-dimethanol,2,2-dimethyl-a,a,a',a'-tetraphenyl-, (4R,5R)- (9CI);1,3-Dioxolane-4,5-dimethanol,2,2-dimethyl-a,a,a',a'-tetraphenyl-, (4R-trans)-;(-)-trans-a,a'-(2,2-Dimethyl-1,3-dioxane-4,5-diyl)bis(diphenylmethanol);(2R,3R)-(-)-1,1,4,4-Tetraphenyl-2,3-(2-propylidenedioxy)butane-1,4-diol;(4R,5R)-2,2-Dimethyl-a,a,a',a'-tetraphenyl-1,3-dioxolane-4,5-dimethanol;(R,R)-Taddol; |
| Density: | 1.2 g/cm3 |
| Melting Point: | 193-195 °C(lit.) |
| Boiling Point: | 633.2 °C at 760 mmHg |
| Flash Point: | 336.7 °C |
| Appearance: | white to light yellow crystal powder |
| Hazard Symbols: |
 Xi, Xn
|
| Risk Codes: | 36/38-36/37/38-20/21/22 |
| Safety: | 24/25-36-26 |
| PSA: | 58.92000 |
| LogP: | 5.37870 |
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Specification
The IUPAC name of (-)-Taddol is [(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol. With the CAS registry number 93379-48-7, it is also named as The product's categories are chiral, asymmetric synthesis, biochemistry, dioxanes & dioxolanes, o-substituted sugars, sugar alcohols, sugars and synthetic organic chemistry. (-)-Taddol is a white to light yellow crystal powder which is stable at room temperature in closed containers under normal storage and handling conditions. It should be stored in a tightly closed container and in a cool, dry, well-ventilated area away from incompatible substances.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 9.60; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.6; (4)ACD/LogD (pH 7.4): 9.6; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 7.4): 3991417.5; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 8; (11)Index of Refraction: 1.615; (12)Molar Refractivity: 135.71 cm3; (13)Molar Volume: 388.7 cm3; (14)Polarizability: 53.79×10-24 cm3; (15)Surface Tension: 51.2 dyne/cm; (16)Enthalpy of Vaporization: 98.38 kJ/mol; (17)Vapour Pressure: 6.69E-17 mmHg at 25°C; (18)Rotatable Bond Count: 6; (19)Exact Mass: 466.214409; (20)MonoIsotopic Mass: 466.214409; (21)Topological Polar Surface Area: 58.9; (22)Heavy Atom Count: 35.
When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. And it is also irritating to eyes, respiratory system and skin. So people should avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.
People can use the following data to convert to the molecule structure.
1. SMILES: OC(c1ccccc1)(c2ccccc2)[C@@H]3OC(O[C@H]3C(O)(c4ccccc4)c5ccccc5)(C)C;
2. InChI: InChI=1/C31H30O4/c1-29(2)34-27(30(32,23-15-7-3-8-16-23)24-17-9-4-10-18-24)28(35-29)31(33,25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22,27-28,32-33H,1-2H3/t27-,28-/m1/s1.