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9H-Purine,2,6-dichloro-9-(2,3,5-tri-O-acetyl-β-D-ribofuranosyl)-

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Name

9H-Purine,2,6-dichloro-9-(2,3,5-tri-O-acetyl-β-D-ribofuranosyl)-

EINECS
CAS No. 3056-18-6 Density 1.69 g/cm3
Solubility Melting Point 158-159°C
Formula C16H16Cl2N4O7 Boiling Point 555.3 °C at 760 mmHg
Molecular Weight 447.23 Flash Point 289.6 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 3056-18-6 (9H-Purine,2,6-dichloro-9-(2,3,5-tri-O-acetyl-β-D-ribofuranosyl)-) Hazard Symbols
Synonyms

9H-Purine,2,6-dichloro-9-β-D-ribofuranosyl-,2',3',5'-triacetate (8CI);9H-Purine, 2,6-dichloro-9-β-D-ribofuranosyl-, triacetate(7CI);2,6-Dichloro-9-(2,3,5-tri-O-acetyl-β-D-ribofuranosyl)-9H-purine;2,6-Dichloro-9-(2',3',5'-tri-O-acetyl-β-D-ribofuranosyl)purine;NSC 76763;9-[2,3,5-Tri-O-acetyl-beta-D-ribofuranosyl]-2,6-dichloropurine;Acetic acid [4-acetoxy-5-(acetoxymethyl)-2-(2,6-dichloropurin-9-yl)tetrahydrofuran-3-yl] ester;4-Acetyloxy-5-(acetyloxymethyl)-2-(2,6-dichloropurin-9-yl)oxolan-3-yl] acetate;[4-Acetyloxy-5-(acetyloxymethyl)-2-(2,6-dichloropurin-9-yl)oxolan-3-yl] ethanoate;

 

9H-Purine,2,6-dichloro-9-(2,3,5-tri-O-acetyl-β-D-ribofuranosyl)- Specification

The 9H-Purine,2,6-dichloro-9-(2,3,5-tri-O-acetyl-β-D-ribofuranosyl)-, with the CAS registry number 3056-18-6, is also known as 9-[2,3,5-Tri-O-acetyl-beta-D-ribofuranosyl]-2,6-dichloropurine. This chemical's molecular formula is C16H16Cl2N4O7 and molecular weight is 447.23. What's more, its systematic name is 2,6-Dichloro-9-(2,3,5-tri-O-acetylpentofuranosyl)-9H-purine. 

Physical properties of 9H-Purine,2,6-dichloro-9-(2,3,5-tri-O-acetyl-β-D-ribofuranosyl)- are: (1)ACD/LogP: 2.32; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 11; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 8; (6)Polar Surface Area: 131.73 Å2; (7)Index of Refraction: 1.671; (8)Molar Refractivity: 98.51 cm3; (9)Molar Volume: 263.2 cm3; (10)Polarizability: 39.05×10-24 cm3; (11)Surface Tension: 59.1 dyne/cm; (12)Density: 1.69 g/cm3; (13)Flash Point: 289.6 °C; (14)Enthalpy of Vaporization: 83.66 kJ/mol; (15)Boiling Point: 555.3 °C at 760 mmHg; (16)Vapour Pressure: 2.27E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc3nc1c(ncn1C2OC(C(OC(=O)C)C2OC(=O)C)COC(=O)C)c(Cl)n3
(2)InChI: InChI=1S/C16H16Cl2N4O7/c1-6(23)26-4-9-11(27-7(2)24)12(28-8(3)25)15(29-9)22-5-19-10-13(17)20-16(18)21-14(10)22/h5,9,11-12,15H,4H2,1-3H3
(3)InChIKey: PYXZXWLFAMZVPY-UHFFFAOYSA-N

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