ChemSpider 2D Image | (1R,2R,3R)-5-[(2S,3R,4S,5R)-2-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3-(hydroxymethyl)-4-oxabicyclo[3.2.0]hept-6-ene-1,2-diol | C17H21N5O8

(1R,2R,3R)-5-[(2S,3R,4S,5R)-2-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3-(hydroxymethyl)-4-oxabicyclo[3.2.0]hept-6-ene-1,2-diol

  • Molecular FormulaC17H21N5O8
  • Average mass423.377 Da
  • Monoisotopic mass423.139008 Da
  • ChemSpider ID65792406

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

ethenoribosyl adenosine

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

Density: 2.1±0.1 g/cm3
Boiling Point: 866.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.9±3.0 kJ/mol
Flash Point: 477.8±37.1 °C
Index of Refraction: 1.908
Molar Refractivity: 92.7±0.5 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 0.95
ACD/LogD (pH 5.5): -0.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.09
ACD/LogD (pH 7.4): -0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.80
Polar Surface Area: 209 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 119.3±7.0 dyne/cm
Molar Volume: 198.0±7.0 cm3

Click to predict properties on the Chemicalize site


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