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144084-01-5

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Basic Information
CAS No.: 144084-01-5
Name: 1-O-Acetyl-2,3,5-tri-O-(4-chlorobenzoyl)-beta-D-ribofuranose
Article Data: 1
Molecular Structure:
Molecular Structure of 144084-01-5 (1-O-Acetyl-2,3,5-tri-O-(4-chlorobenzoyl)-beta-D-ribofuranose)
Formula: C28H21Cl3O9
Molecular Weight: 607.828
Synonyms: 1-O-Acetyl-2,3,5-tri-O-(4-chlorobenzoyl)-beta-D-ribofuranose;
Density: 1.498 g/cm3
Melting Point: 142-143 °C
Boiling Point: 673.293 °C at 760 mmHg
Flash Point: 209.691 °C
Appearance: White solid
PSA: 114.43000
LogP: 5.54280
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Specification

The 1-O-Acetyl-2,3,5-tri-O-(4-chlorobenzoyl)-beta-D-ribofuranose with the CAS number 144084-01-5 is also called b-D-Ribofuranose,1-acetate2,3,5-tris(4-chlorobenzoate). Its molecular formula is C28H21Cl3O9. The product category is Carbohydrates & Derivatives.

The properties of the chemical are: (1)ACD/LogP: 3.39; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 6036; (6)ACD/BCF (pH 7.4): 6036; (7)ACD/KOC (pH 5.5): 17696; (8)ACD/KOC (pH 7.4): 17696; (9)#H bond acceptors: 9; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 114.43 Å2; (13)Index of Refraction: 1.628; (14)Molar Refractivity: 144.005 cm3; (15)Molar Volume: 405.658 cm3; (16)Polarizability: 57.088×10-24cm3; (17)Surface Tension: 64.174 dyne/cm; (18)Enthalpy of Vaporization: 98.892 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O[C@@H]3O[C@@H]([C@@H](OC(=O)c1ccc(Cl)cc1)[C@H]3OC(=O)c2ccc(Cl)cc2)COC(=O)c4ccc(Cl)cc4)C
(2)InChI: InChI=1/C28H21Cl3O9/c1-15(32)37-28-24(40-27(35)18-6-12-21(31)13-7-18)23(39-26(34)17-4-10-20(30)11-5-17)22(38-28)14-36-25(33)16-2-8-19(29)9-3-16/h2-13,22-24,28H,14H2,1H3/t22-,23-,24-,28-/m1/s1
(3)InChIKey: PWENFUAUZHQOQD-CBUXHAPBBR