ChemSpider 2D Image | (2R,3R,4S,5R)-2-(6-Amino-9H-purin-9-yl)-4,5-difluoro-5-(hydroxymethyl)tetrahydro-3-furanol (non-preferred name) | C10H11F2N5O3

(2R,3R,4S,5R)-2-(6-Amino-9H-purin-9-yl)-4,5-difluoro-5-(hydroxymethyl)tetrahydro-3-furanol (non-preferred name)

  • Molecular FormulaC10H11F2N5O3
  • Average mass287.223 Da
  • Monoisotopic mass287.083008 Da
  • ChemSpider ID58121772

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R,3R,4S,5R)-2-(6-Amino-9H-purin-9-yl)-4,5-difluor-5-(hydroxymethyl)tetrahydro-3-furanol (non-preferred name) [German] [ACD/IUPAC Name]
(2R,3R,4S,5R)-2-(6-Amino-9H-purin-9-yl)-4,5-difluoro-5-(hydroxymethyl)tetrahydro-3-furanol (non-preferred name) [ACD/IUPAC Name]
(2R,3R,4S,5R)-2-(6-Amino-9H-purin-9-yl)-4,5-difluoro-5-(hydroxyméthyl)tétrahydro-3-furanol (non-preferred name) [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3343881/

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

Density: 2.0±0.1 g/cm3
Boiling Point: 609.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.3±3.0 kJ/mol
Flash Point: 322.7±34.3 °C
Index of Refraction: 1.776
Molar Refractivity: 59.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.75
ACD/LogD (pH 5.5): -0.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.25
ACD/LogD (pH 7.4): -0.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.89
Polar Surface Area: 119 Å2
Polarizability: 23.5±0.5 10-24cm3
Surface Tension: 78.2±7.0 dyne/cm
Molar Volume: 142.1±7.0 cm3

Click to predict properties on the Chemicalize site


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