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444586-86-1

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Basic Information
CAS No.: 444586-86-1
Name: 2-FLUORO-2-DEOXY-1,3,5-TRI-O-ACETYL-A-D-ARABINOFURANOSE DISCONTINUED
Molecular Structure:
Molecular Structure of 444586-86-1 (2-FLUORO-2-DEOXY-1,3,5-TRI-O-ACETYL-A-D-ARABINOFURANOSE DISCONTINUED)
Formula: C11H15FO7
Molecular Weight: 278.234
Synonyms: D-Arabinofuranose,2-deoxy-2-fluoro-, triacetate (9CI);2-Fluoro-2-deoxy-1,3,5-tri-O-acetyl-α-D-arabinofuranose;
EINECS: 1533716-785-6
Density: 1.292 g/cm3
Boiling Point: 332.804 °C at 760 mmHg
Flash Point: 149.972 °C
PSA: 88.13000
LogP: 0.10730
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Specification

The 2-Deoxy-2-fluoro-D-arabinofuranose triacetate, with the CAS registry number 444586-86-1, is also known as 2-Fluoro-2-deoxy-1,3,5-tri-O-acetyl-α-D-arabinofuranose. It belongs to the product category of Carbohydrates & Derivatives. This chemical's molecular formula is C11H15FO7 and molecular weight is 278.23. What's more, its systematic name is 1,3,5-Tri-O-acetyl-2-deoxy-2-fluoro-α-D-arabinofuranose.

Physical properties of 2-Deoxy-2-fluoro-D-arabinofuranose triacetate are: (1)ACD/LogP: 0.614; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.61; (4)ACD/LogD (pH 7.4): 0.61; (5)ACD/BCF (pH 5.5): 1.72; (6)ACD/BCF (pH 7.4): 1.72; (7)ACD/KOC (pH 5.5): 51.38; (8)ACD/KOC (pH 7.4): 51.38; (9)#H bond acceptors: 7; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 88.13 Å2; (13)Index of Refraction: 1.454; (14)Molar Refractivity: 58.274 cm3; (15)Molar Volume: 215.369 cm3; (16)Polarizability: 23.102×10-24cm3; (17)Surface Tension: 39.2 dyne/cm; (18)Density: 1.292 g/cm3; (19)Flash Point: 149.972 °C; (20)Enthalpy of Vaporization: 57.561 kJ/mol; (21)Boiling Point: 332.804 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H](O1)OC(=O)C)F)OC(=O)C
(2)Std. InChI: InChI=1S/C11H15FO7/c1-5(13)16-4-8-10(17-6(2)14)9(12)11(19-8)18-7(3)15/h8-11H,4H2,1-3H3/t8-,9+,10-,11+/m1/s1
(3)Std. InChIKey: RUHDSMRRCLJPJM-YTWAJWBKSA-N