(+)-Taddol supplier | CasNO.93379-49-8

Name
(+)-Taddol
EINECS
CAS No. 93379-49-8
Article Data5
CAS DataBase
Density 1.2 g/cm³
Solubility
Melting Point 193-196 °C(lit.)
Formula C₃₁H₃₀O₄
Boiling Point 633.2 °C at 760 mmHg
Molecular Weight 466.577
Flash Point 336.7 °C
Transport Information
Appearance white to light yellow crystal powder
Safety 26-36
Risk Codes 20/21/22-36/37/38
Molecular Structure
Hazard Symbols Xn
Synonyms (+)-Taddol I;(+)-trans-a,a'-(2,2-Dimethyl-1,3-dioxolane-4,5-diyl)bis(diphenylmethanol);(4S,5S)-4,5-Bis(hydroxydiphenylmethyl)-2,2-dimethyl-1,3-dioxolane;(4S,5S)-Taddol;(S,S)-4,5-Bis(diphenylhydroxymethyl)-2,2-dimethyl-1,3-dioxolane;1,3-Dioxolane-4,5-dimethanol,2,2-dimethyl-a,a,a',a'-tetraphenyl-, (4S,5S)- (9CI);1,3-Dioxolane-4,5-dimethanol,2,2-dimethyl-a,a,a',a'-tetraphenyl-, (4S-trans)-;
PSA 58.92000
LogP 5.37870

(+)-Taddol Specification

The systematic name of (2S,3S)-(-)-4,5-Bis(diphenylhydroxymethyl)-2,2-dimethyl-1,3-dioxolane is [(4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-diyl]bis(diphenylmethanol). With the CAS registry number 93379-49-8, it is also named as (+)-trans-a,a'-(2,2-Dimethyl-1,3-dioxolane-4,5-diyl)bis(diphenylmethanol). The product's categories are chiral, asymmetric synthesis, dioxanes & dioxolanes, dioxolanes and synthetic organic chemistry. It is white to light yellow crystal powder which is used as pharmaceutical intermediates.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 6.01; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 10; (4)ACD/LogD (pH 7.4): 10; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 3991470; (8)ACD/KOC (pH 7.4): 3991418; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Index of Refraction: 1.615; (13)Molar Refractivity: 135.71 cm³; (14)Molar Volume: 388.727 cm³; (15)Polarizability: 53.8×10^-24 cm³; (16)Surface Tension: 51.279 dyne/cm; (17)Enthalpy of Vaporization: 98.382 kJ/mol; (18)Vapour Pressure: 0 mmHg at 25°C.

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. 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-/m0/s1.

Product Name

(+)-Taddol

(+)-Taddol Specification

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