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CAS No.: | 91604-41-0 |
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Name: | (+)-1,4-DI-O-BENZYL-D-THREITOL |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C18H22O4 |
Molecular Weight: | 302.37 |
Synonyms: | 2,3-butanediol, 1,4-bis(phenylmethoxy)-, (2R,3R)-;(2R,3R)-1,4-Bis(benzyloxy)butane-2,3-diol;1,4-Di-O-benzyl-D-threitol;(+)-1,4-Di-O-benzyl-D-threitol; |
Density: | 1.174 g/cm3 |
Melting Point: | 55-58 °C |
Boiling Point: | 484.4 °C at 760 mmHg |
Flash Point: | 246.7 °C |
PSA: | 58.92000 |
LogP: | 2.14180 |
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The CAS registry number of 2,3-Butanediol,1,4-bis(phenylmethoxy)-,(2R,3R)- is 91604-41-0. The systematic name is (2R,3R)-1,4-bis(benzyloxy)butane-2,3-diol. In addition, the molecular formula is C18H22O4 and the molecular weight is 302.36. It is a kind of white to light yellow crystal powder and belongs to the classes of chiral; Asymmetric Synthesis; Biochemistry; Chiral Building Blocks; Simple Alcohols (Chiral); Sugar Alcohols; Sugars; Synthetic Organic Chemistry.
Physical properties about 2,3-Butanediol,1,4-bis(phenylmethoxy)-,(2R,3R)- are: (1)ACD/LogP: 3.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.75; (4)ACD/LogD (pH 7.4): 3.75; (5)ACD/BCF (pH 5.5): 416.65; (6)ACD/BCF (pH 7.4): 416.65; (7)ACD/KOC (pH 5.5): 2611.16; (8)ACD/KOC (pH 7.4): 2611.15; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 36.92 Å2; (13)Index of Refraction: 1.576; (14)Molar Refractivity: 85.29 cm3; (15)Molar Volume: 257.4 cm3; (16)Polarizability: 33.81 ×10-24cm3; (17)Surface Tension: 49.4 dyne/cm; (18)Density: 1.174 g/cm3; (19)Flash Point: 246.7 °C; (20)Enthalpy of Vaporization: 78.96 kJ/mol; (21)Boiling Point: 484.4 °C at 760 mmHg; (22)Vapour Pressure: 3.41E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O(C[C@@H](O)[C@H](O)COCc1ccccc1)Cc2ccccc2
(2)InChI: InChI=1/C18H22O4/c19-17(13-21-11-15-7-3-1-4-8-15)18(20)14-22-12-16-9-5-2-6-10-16/h1-10,17-20H,11-14H2/t17-,18-/m1/s1
(3)InChIKey: YAVAVQDYJARRAU-QZTJIDSGBW