ChemSpider 2D Image | (4s,5s)-4-(6-Amino-9h-Purin-9-Yl)-3-Fluoro-5-Hydroxy-2-(Hydroxymethyl)cyclopent-2-En-1-One | C11H10FN5O3

(4s,5s)-4-(6-Amino-9h-Purin-9-Yl)-3-Fluoro-5-Hydroxy-2-(Hydroxymethyl)cyclopent-2-En-1-One

  • Molecular FormulaC11H10FN5O3
  • Average mass279.227 Da
  • Monoisotopic mass279.076782 Da
  • ChemSpider ID26326098

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(4s,5s)-4-(6-Amino-9h-Purin-9-Yl)-3-Fluoro-5-Hydroxy-2-(Hydroxymethyl)cyclopent-2-En-1-One
(4S,5S)-4-(6-Amino-9H-purin-9-yl)-3-fluor-5-hydroxy-2-(hydroxymethyl)-2-cyclopenten-1-on [German] [ACD/IUPAC Name]
(4S,5S)-4-(6-Amino-9H-purin-9-yl)-3-fluoro-5-hydroxy-2-(hydroxymethyl)-2-cyclopenten-1-one [ACD/IUPAC Name]
(4S,5S)-4-(6-Amino-9H-purin-9-yl)-3-fluoro-5-hydroxy-2-(hydroxyméthyl)-2-cyclopentén-1-one [French] [ACD/IUPAC Name]
2-Cyclopenten-1-one, 4-(6-amino-9H-purin-9-yl)-3-fluoro-5-hydroxy-2-(hydroxymethyl)-, (4S,5S)- [ACD/Index Name]
AFX

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.0±0.1 g/cm3
Boiling Point: 660.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.1±3.0 kJ/mol
Flash Point: 353.4±34.3 °C
Index of Refraction: 1.854
Molar Refractivity: 63.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.17
ACD/LogD (pH 5.5): -0.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 21.69
ACD/LogD (pH 7.4): -0.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 22.37
Polar Surface Area: 127 Å2
Polarizability: 25.0±0.5 10-24cm3
Surface Tension: 89.3±7.0 dyne/cm
Molar Volume: 140.7±7.0 cm3

Click to predict properties on the Chemicalize site


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