(3aR,4R,5R,6aS)-4-[(1E,3R)-4-(3-Chlorophenoxy)-3-hydroxy-1-buten-1-yl]-5-hydroxyhexahydro-2H-cyclopenta[b]furan-2-one

Details:

(3aR,4R,5R,6aS)-4-[(1E,3R)-4-(3-Chlorophenoxy)-3-hydroxy-1-buten-1-yl]-5-hydroxyhexahydro-2H-cyclopenta[b]furan-2-one is an organic compound with the formula C17H19ClO5, and its systematic name is the same with the product name. With the CAS registry number 53906-54-0, it is also named as 2H-Cyclopenta[b]furan-2-one, 4-[(1E,3R)-4-(3-chlorophenoxy)-3-hydroxy-1-buten-1-yl]hexahydro-5-hydroxy-, (3aR,4R,5R,6aS)-. In addition, the molecular weight is 338.78. Physical properties of (3aR,4R,5R,6aS)-4-[(1E,3R)-4-(3-Chlorophenoxy)-3-hydroxy-1-buten-1-yl]-5-hydroxyhexahydro-2H-cyclopenta[b]furan-2-one are: (1)ACD/LogP: 0.812; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.81; (4)ACD/LogD (pH 7.4): 0.81; (5)ACD/BCF (pH 5.5): 2.44; (6)ACD/BCF (pH 7.4): 2.44; (7)ACD/KOC (pH 5.5): 65.87; (8)ACD/KOC (pH 7.4): 65.87; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 75.99 ?2; (13)Index of Refraction: 1.648; (14)Molar Refractivity: 86.677 cm3; (15)Molar Volume: 238.098 cm3; (16)Polarizability: 34.362×10-24cm3; (17)Surface Tension: 66.47 dyne/cm; (18)Density: 1.423 g/cm3; (19)Flash Point: 284.202 °C; (20)Enthalpy of Vaporization: 86.861 kJ/mol; (21)Boiling Point: 546.316 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.