ChemSpider 2D Image | (1R,2S,3R,5R)-3-(6-Amino-2-fluoro-9H-purin-9-yl)-5-(hydroxymethyl)-1,2-cyclopentanediol | C11H14FN5O3

(1R,2S,3R,5R)-3-(6-Amino-2-fluoro-9H-purin-9-yl)-5-(hydroxymethyl)-1,2-cyclopentanediol

  • Molecular FormulaC11H14FN5O3
  • Average mass283.259 Da
  • Monoisotopic mass283.108063 Da
  • ChemSpider ID23318978

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,2S,3R,5R)-3-(6-Amino-2-fluor-9H-purin-9-yl)-5-(hydroxymethyl)-1,2-cyclopentandiol [German] [ACD/IUPAC Name]
(1R,2S,3R,5R)-3-(6-Amino-2-fluoro-9H-purin-9-yl)-5-(hydroxymethyl)-1,2-cyclopentanediol [ACD/IUPAC Name]
(1R,2S,3R,5R)-3-(6-Amino-2-fluoro-9H-purin-9-yl)-5-(hydroxyméthyl)-1,2-cyclopentanediol [French] [ACD/IUPAC Name]
(1R,2S,3R,5R)-3-(6-amino-2-fluoro-9H-purin-9-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
1,2-Cyclopentanediol, 3-(6-amino-2-fluoro-9H-purin-9-yl)-5-(hydroxymethyl)-, (1R,2S,3R,5R)- [ACD/Index Name]
9-[(1R,2S,3R,4R)-2,3-dihydroxy-4-hydroxymethyl-cyclopentan-1-yl]-9-H-2-fluoroadenine
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL405186/

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

Density: 2.0±0.1 g/cm3
Boiling Point: 656.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.6±3.0 kJ/mol
Flash Point: 350.8±34.3 °C
Index of Refraction: 1.854
Molar Refractivity: 63.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -0.56
ACD/LogD (pH 5.5): -0.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.07
ACD/LogD (pH 7.4): -0.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.07
Polar Surface Area: 130 Å2
Polarizability: 25.0±0.5 10-24cm3
Surface Tension: 89.3±7.0 dyne/cm
Molar Volume: 140.7±7.0 cm3

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