| Identification | |
| Name: | 1,3-Dioxolane-4,5-dimethanol,2,2-dimethyl-a4,a4,a5,a5-tetraphenyl-, (4S,5S)- |
| 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)-; |
| CAS: | 93379-49-8 |
| Molecular Formula: | C31H30O4 |
| Molecular Weight: | 466.57 |
| 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 |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.2 g/cm3 |
| Refractive index: | 1.615 |
| Alpha: | -62.6 º (C=1 IN CHLOROFORM) |
| Appearance: | white to light yellow crystal powder |
| 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. |
| Safety Data | |
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