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(-)-Taddol

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Name

(-)-Taddol

EINECS N/A
CAS No. 93379-48-7 Density 1.2 g/cm3
PSA 58.92000 LogP 5.37870
Solubility N/A Melting Point 193-195 °C(lit.)
Formula C31H30O4 Boiling Point 633.2 °C at 760 mmHg
Molecular Weight 466.577 Flash Point 336.7 °C
Transport Information N/A Appearance white to light yellow crystal powder
Safety 24/25-36-26 Risk Codes 36/38-36/37/38-20/21/22
Molecular Structure Molecular Structure of 93379-48-7 ((-)-Taddol) Hazard Symbols IrritantXi,HarmfulXn
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;

Article Data 21

(-)-Taddol 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.

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