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130064-21-0

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Basic Information
CAS No.: 130064-21-0
Name: 1,2-(2'-Hydroxyl-4',4''-bis-alpha-pyranol)diphenylethanone
Article Data: 12
Molecular Structure:
Molecular Structure of 130064-21-0 (1,2-(2'-Hydroxyl-4',4''-bis-alpha-pyranol)diphenylethanone)
Formula: C24H28O6
Molecular Weight: 412.483
Synonyms: 1-[2-Hydroxy-4-[(tetrahydro-2H-pyran-2-yl)oxy]phenyl]-2-[4-[(tetrahydro-2H-pyran-2-yl)oxy]phenyl]ethanone;
Density: 1.230 g/cm3
Melting Point: 118 °C(Solv: hexane (110-54-3))
Boiling Point: 613.291 °C at 760 mmHg
Flash Point: 210.403 °C
PSA: 74.22000
LogP: 4.62840
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Specification

This chemical is called 1,2-(2'-Hydroxyl-4',4''-bis-alpha-pyranol)diphenylethanone, and it can also be named as 1-[2-Hydroxy-4-[(tetrahydro-2H-pyran-2-yl)oxy]phenyl]-2-[4-[(tetrahydro-2H-pyran-2-yl)oxy]phenyl]ethanone. With the molecular formula of C24H28O6, its molecular weight is 412.48. In addition, its CAS registry number is 130064-21-0, and its product category is API Intermediate.

Other characteristics of the 1,2-(2'-Hydroxyl-4',4''-bis-alpha-pyranol)diphenylethanone can be summarised as followings:  (1)ACD/LogP: 3.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 305; (6)ACD/BCF (pH 7.4): 144; (7)ACD/KOC (pH 5.5): 2079; (8)ACD/KOC (pH 7.4): 984; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 74.22 Å2; (13)Index of Refraction: 1.583; (14)Molar Refractivity: 112.064 cm3; (15)Molar Volume: 335.196 cm3; (16)Polarizability: 44.426×10-24cm3; (17)Surface Tension: 51.284 dyne/cm; (18)Density: 1.231 g/cm3; (19)Flash Point: 210.403 °C; (20)Enthalpy of Vaporization: 94.365 kJ/mol; (21)Boiling Point: 613.291 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: O=C(c2ccc(OC1OCCCC1)cc2O)Cc4ccc(OC3OCCCC3)cc4
(2)InChI: InChI=1/C24H28O6/c25-21(15-17-7-9-18(10-8-17)29-23-5-1-3-13-27-23)20-12-11-19(16-22(20)26)30-24-6-2-4-14-28-24/h7-12,16,23-24,26H,1-6,13-15H2
(3)InChIKey: OWTDXASPDWYLTG-UHFFFAOYAM