Product Name

Alpha-D-Ribofuranose 1-acetate 2,3,5-tribenzoate Specification

The Alpha-D-Ribofuranose 1-acetate 2,3,5-tribenzoate, with CAS registry number 70832-64-3, has the systematic name of 1-O-acetyl-2,3,5-tri-O-benzoylpentofuranose. Besides this, it is also called (5-acetyloxy-3,4-dibenzoyloxy-oxolan-2-yl)methyl benzoate. And the chemical formula of this chemical is C28H24O9.

Physical properties of Alpha-D-Ribofuranose 1-acetate 2,3,5-tribenzoate: (1)ACD/LogP: 3.18; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 9; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 12; (6)Polar Surface Area: 114.43 Å2; (7)Index of Refraction: 1.61; (8)Molar Refractivity: 129.52 cm3; (9)Molar Volume: 373.4 cm3; (10)Polarizability: 51.34×10-24cm3; (11)Surface Tension: 59.4 dyne/cm; (12)Density: 1.35 g/cm3; (13)Flash Point: 264.3 °C; (14)Enthalpy of Vaporization: 92.02 kJ/mol; (15)Boiling Point: 621 °C at 760 mmHg; (16)Vapour Pressure: 2.41E-15 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC3OC(C(OC(=O)c1ccccc1)C3OC(=O)c2ccccc2)COC(=O)c4ccccc4)C
(2)InChI: InChI=1/C28H24O9/c1-18(29)34-28-24(37-27(32)21-15-9-4-10-16-21)23(36-26(31)20-13-7-3-8-14-20)22(35-28)17-33-25(30)19-11-5-2-6-12-19/h2-16,22-24,28H,17H2,1H3
(3)InChIKey: GCZABPLTDYVJMP-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C28H24O9/c1-18(29)34-28-24(37-27(32)21-15-9-4-10-16-21)23(36-26(31)20-13-7-3-8-14-20)22(35-28)17-33-25(30)19-11-5-2-6-12-19/h2-16,22-24,28H,17H2,1H3
(5)Std. InChIKey: GCZABPLTDYVJMP-UHFFFAOYSA-N

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