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1,3-Dioxolane-4,5-dimethanol,2,2-dimethyl-a4,a4,a5,a5-tetraphenyl-, (4R,5R)- (93379-48-7)

Identification
Name:1,3-Dioxolane-4,5-dimethanol,2,2-dimethyl-a4,a4,a5,a5-tetraphenyl-, (4R,5R)-
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;
CAS:93379-48-7
Molecular Formula: C31H30O4
Molecular Weight: 466.58
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
Molecular Structure: (C31H30O4) 1,3-Dioxolane-4,5-dimethanol,2,2-dimethyl-a,a,a',a'-tetraphenyl-, (4R,5R)- (9CI);1,3-Dioxolane-4,5-d...
Properties
Flash Point: 336.7°C
Boiling Point: 633.2°Cat760mmHg
Density:1.2g/cm3
Stability:Stable under normal temperatures and pressures.
Refractive index:-69 ° (C=1, CHCl3)
Alpha:-65.5 º (C=1, CHCL3)
Solubility:Insoluble
Appearance:white to light yellow crystal powder
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.

HS Code: 29329970
Flash Point: 336.7°C
Storage Temperature: Store in a cool, dry place. Keep container closed when not in use.
Usage:Organic synthesis.
Safety Data
Hazard Symbols Xi:Irritant
 

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