CAS No.22224-41-5,1,3,5-Tri-O-benzoyl-D-ribofuranose Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	22224-41-5
Name:	1,3,5-Tri-O-benzoyl-D-ribofuranose
Article Data:	14

Formula:	C₂₆H₂₂O₈
Molecular Weight:	462.456
Synonyms:	Ribofuranose,1,3,5-tribenzoate (7CI);1,3,5-Tri-O-benzoyl-a-D-ribofuranose;alpha-D-Ribofuranose,1,3,5-tribenzoate;
EINECS:	606-957-6
Density:	1.37 g/cm³
Melting Point:	125-129 °C(lit.)
Boiling Point:	629.6 °C at 760 mmHg
Flash Point:	212.9 °C
Solubility:	Insoluble in water, easily soluble in chloroform.
Appearance:	Powder
Safety:	22-24/25
PSA:	108.36000
LogP:	3.01180

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Specification

The 1,3,5-Tri-O-benzoyl-D-ribofuranose, with the CAS registry number 22224-41-5, is also known as [5-(Benzoyloxy)-2-(benzoyloxymethyl)-4-hydroxyoxolan-3-yl] benzoate. It belongs to the product categories of Sugars, Carbohydrates & Glucosides; API intermediates; (intermediate of clofarabine). This chemical's molecular formula is C₂₆H₂₂O₈ and molecular weight is 462.45. Its systematic name is called 1,3,5-tris-O-(phenylcarbonyl)-alpha-D-ribofuranose. When you are using this chemical, please be cautious about it. You should not breathe its dust. What's more, you must avoid contacting it with skin and eyes. The product should be sealed and stored in cool and dry place.

Physical properties of 1,3,5-Tri-O-benzoyl-D-ribofuranose: (1)ACD/LogP: 6.12; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.12; (4)ACD/LogD (pH 7.4): 6.12; (5)ACD/BCF (pH 5.5): 26464.33; (6)ACD/BCF (pH 7.4): 26464.04; (7)ACD/KOC (pH 5.5): 50971.27; (8)ACD/KOC (pH 7.4): 50970.71; (9)#H bond acceptors: 8; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 11; (12)Index of Refraction: 1.633; (13)Molar Refractivity: 119.93 cm³; (14)Molar Volume: 335.7 cm³; (15)Surface Tension: 63.5 dyne/cm; (16)Density: 1.37 g/cm³; (17)Flash Point: 212.9 °C; (18)Enthalpy of Vaporization: 97.9 kJ/mol; (19)Boiling Point: 629.6 °C at 760 mmHg; (20)Vapour Pressure: 1.02E-16 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O[C@H]2O[C@@H]([C@@H](OC(=O)c1ccccc1)[C@H]2O)COC(=O)c3ccccc3)c4ccccc4
(2)InChI: InChI=1/C26H22O8/c27-21-22(33-24(29)18-12-6-2-7-13-18)20(16-31-23(28)17-10-4-1-5-11-17)32-26(21)34-25(30)19-14-8-3-9-15-19/h1-15,20-22,26-27H,16H2/t20-,21-,22-,26-/m1/s1
(3)InChIKey: HUHVPBKTTFVAQF-PIXQIBFHBV