Found 1 result

Search term: BHBYBYPYUGVDDF-LUTUWXHWSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (1R,2S,3S,4R,5R)-3-(6-Amino-9H-purin-9-yl)-4-fluoro-5-(2-hydroxyethyl)-1,2-cyclopentanediol | C12H16FN5O3

(1R,2S,3S,4R,5R)-3-(6-Amino-9H-purin-9-yl)-4-fluoro-5-(2-hydroxyethyl)-1,2-cyclopentanediol

  • Molecular FormulaC12H16FN5O3
  • Average mass297.285 Da
  • Monoisotopic mass297.123718 Da
  • ChemSpider ID88296953

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R,2S,3S,4R,5R)-3-(6-Amino-9H-purin-9-yl)-4-fluor-5-(2-hydroxyethyl)-1,2-cyclopentandiol [German] [ACD/IUPAC Name]
(1R,2S,3S,4R,5R)-3-(6-Amino-9H-purin-9-yl)-4-fluoro-5-(2-hydroxyethyl)-1,2-cyclopentanediol [ACD/IUPAC Name]
(1R,2S,3S,4R,5R)-3-(6-Amino-9H-purin-9-yl)-4-fluoro-5-(2-hydroxyéthyl)-1,2-cyclopentanediol [French] [ACD/IUPAC Name]
1,2-Cyclopentanediol, 3-(6-amino-9H-purin-9-yl)-4-fluoro-5-(2-hydroxyethyl)-, (1R,2S,3S,4R,5R)- [ACD/Index Name]
6'-ß-fluoro-homoaristeromycin

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

Density: 1.9±0.1 g/cm3
Boiling Point: 601.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.1±3.0 kJ/mol
Flash Point: 317.3±34.3 °C
Index of Refraction: 1.811
Molar Refractivity: 67.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -1.54
ACD/LogD (pH 5.5): -0.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.24
ACD/LogD (pH 7.4): -0.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.27
Polar Surface Area: 130 Å2
Polarizability: 26.8±0.5 10-24cm3
Surface Tension: 81.5±7.0 dyne/cm
Molar Volume: 156.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement