ChemSpider 2D Image | (1S,2S,3R,5R)-3-(6-Amino-9H-purin-9-yl)-5-fluoro-1,2-cyclopentanediol | C10H12FN5O2

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

  • Molecular FormulaC10H12FN5O2
  • Average mass253.233 Da
  • Monoisotopic mass253.097504 Da
  • ChemSpider ID23317979

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,2S,3R,5R)-3-(6-Amino-9H-purin-9-yl)-5-fluor-1,2-cyclopentandiol [German] [ACD/IUPAC Name]
(1S,2S,3R,5R)-3-(6-Amino-9H-purin-9-yl)-5-fluoro-1,2-cyclopentanediol [ACD/IUPAC Name]
(1S,2S,3R,5R)-3-(6-Amino-9H-purin-9-yl)-5-fluoro-1,2-cyclopentanediol [French] [ACD/IUPAC Name]
1,2-Cyclopentanediol, 3-(6-amino-9H-purin-9-yl)-5-fluoro-, (1S,2S,3R,5R)- [ACD/Index Name]
(1S,2S,3R,5R)-3-(6-amino-9H-purin-9-yl)-5-fluorocyclopentane-1,2-diol
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL263637/

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

Density: 2.0±0.1 g/cm3
Boiling Point: 545.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.7±3.0 kJ/mol
Flash Point: 283.4±32.9 °C
Index of Refraction: 1.865
Molar Refractivity: 57.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.82
ACD/LogD (pH 5.5): -0.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.83
ACD/LogD (pH 7.4): -0.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.26
Polar Surface Area: 110 Å2
Polarizability: 22.8±0.5 10-24cm3
Surface Tension: 86.5±7.0 dyne/cm
Molar Volume: 127.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement