Product Name

[2-Acetyloxy-1-[3-acetyloxy-5-(2,6-dichloropurin-9-yl)-4-ethylsulfanyl-oxolan-2-yl]ethyl] acetate Specification

The [2-Acetyloxy-1-[3-acetyloxy-5-(2,6-dichloropurin-9-yl)-4-ethylsulfanyl-oxolan-2-yl]ethyl] acetate has CAS registry number 59837-24-0. This chemical's molecular formula is C19H22Cl2N4O7S and molecular weight is 521.37. What's more, its systematic name is 2,6-Dichloro-9-(3,5,6-tri-O-acetyl-2-S-ethyl-2-thiohexofuranosyl)-9H-purine.

Physical properties of [2-Acetyloxy-1-[3-acetyloxy-5-(2,6-dichloropurin-9-yl)-4-ethylsulfanyl-oxolan-2-yl]ethyl] acetate are: (1)ACD/LogP: 3.09; (2)# of Rule of 5 Violations: 2; (3)#H bond acceptors: 11; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 11; (6)Polar Surface Area: 157.03 Å2; (7)Index of Refraction: 1.659; (8)Molar Refractivity: 119.96 cm3; (9)Molar Volume: 324.9 cm3; (10)Polarizability: 47.55×10-24cm3; (11)Surface Tension: 55.6 dyne/cm; (12)Density: 1.6 g/cm3; (13)Flash Point: 334.9 °C; (14)Enthalpy of Vaporization: 93.22 kJ/mol; (15)Boiling Point: 630.2 °C at 760 mmHg V; (16)apour Pressure: 8.59E-16 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC(OC(=O)C)C3OC(n2cnc1c2nc(Cl)nc1Cl)C(SCC)C3OC(=O)C)C
(2)Std. InChI: InChI=1S/C19H22Cl2N4O7S/c1-5-33-15-14(31-10(4)28)13(11(30-9(3)27)6-29-8(2)26)32-18(15)25-7-22-12-16(20)23-19(21)24-17(12)25/h7,11,13-15,18H,5-6H2,1-4H3
(3)Std. InChIKey: ZHGZDYNKUOXKLU-UHFFFAOYSA-N

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