CAS No.20227-41-2,9-(2-Deoxy-2-fluoro-beta-D-arabinofuranosyl)adenine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	20227-41-2
Name:	9-(2-Deoxy-2-fluoro-beta-D-arabinofuranosyl)adenine
Article Data:	37

Formula:	C₁₀H₁₂FN₅O₃
Molecular Weight:	269.235
Synonyms:	Adenine,9-(2-deoxy-2-fluoro-b-D-arabinofuranosyl)- (8CI);
Density:	2.012 g/cm³
Melting Point:	233-234 °C
Boiling Point:	628.644 °C at 760 mmHg
Flash Point:	333.992 °C
PSA:	119.31000
LogP:	-0.42160

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Specification

The 9-(2-Deoxy-2-fluoro-beta-D-arabinofuranosyl)adenine is an organic compound with the formula C₁₀H₁₂FN₅O₃. The systematic name of this chemical is 9-(2-deoxy-2-fluoro-β-D-arabinofuranosyl)-9H-purin-6-amine. With the CAS registry number 20227-41-2, it is also named as 9H-purin-6-amine, 9-(2-deoxy-2-fluoro-β-D-arabinofuranosyl)-.

Physical properties about 9-(2-Deoxy-2-fluoro-beta-D-arabinofuranosyl)adenine are: (1)ACD/LogP: 0.93 ; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 16; (5)ACD/KOC (pH 7.4): 16; (6)#H bond acceptors: 8; (7)#H bond donors: 4; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 119.31 Å²; (10)Index of Refraction: 1.834; (11)Molar Refractivity: 58.978 cm³; (12)Molar Volume: 133.783 cm³; (13)Polarizability: 23.381×10^-24cm³; (14)Surface Tension: 85.921 dyne/cm; (15)Density: 2.012 g/cm³; (16)Flash Point: 333.992 °C; (17)Enthalpy of Vaporization: 97.771 kJ/mol; (18)Boiling Point: 628.644 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Nc3ncnc2c3ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F
(2)InChI: InChI=1/C10H12FN5O3/c11-5-7(18)4(1-17)19-10(5)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17-18H,1H2,(H2,12,13,14)/t4-,5+,7-,10-/m1/s1
(3)InChIKey: ZGYYPTJWJBEXBC-GQTRHBFLBS
(4)Std. InChI: InChI=1S/C10H12FN5O3/c11-5-7(18)4(1-17)19-10(5)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17-18H,1H2,(H2,12,13,14)/t4-,5+,7-,10-/m1/s1
(5)Std. InChIKey: ZGYYPTJWJBEXBC-GQTRHBFLSA-N