ChemSpider 2D Image | (1R,2R,3R,5S)-3-(6-Amino-9H-purin-9-yl)-5-(hydroxymethyl)-1,2-cyclopentanediol | C11H15N5O3

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

  • Molecular FormulaC11H15N5O3
  • Average mass265.268 Da
  • Monoisotopic mass265.117493 Da
  • ChemSpider ID62426567

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,2R,3R,5S)-3-(6-Amino-9H-purin-9-yl)-5-(hydroxymethyl)-1,2-cyclopentandiol [German] [ACD/IUPAC Name]
(1R,2R,3R,5S)-3-(6-Amino-9H-purin-9-yl)-5-(hydroxymethyl)-1,2-cyclopentanediol [ACD/IUPAC Name]
(1R,2R,3R,5S)-3-(6-Amino-9H-purin-9-yl)-5-(hydroxyméthyl)-1,2-cyclopentanediol [French] [ACD/IUPAC Name]
1,2-Cyclopentanediol, 3-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)-, (1R,2R,3R,5S)- [ACD/Index Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 595.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.3±3.0 kJ/mol
Flash Point: 313.7±32.9 °C
Index of Refraction: 1.882
Molar Refractivity: 63.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -1.18
ACD/LogD (pH 5.5): -0.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.69
ACD/LogD (pH 7.4): -0.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.77
Polar Surface Area: 130 Å2
Polarizability: 25.0±0.5 10-24cm3
Surface Tension: 96.9±7.0 dyne/cm
Molar Volume: 137.8±7.0 cm3

Click to predict properties on the Chemicalize site


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