ChemSpider 2D Image | 3-[(2R,3R,4S,5R)-5-[[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]imidazo[2,1-f]purine-5-sulfonic acid | C22H25N10O14PS

3-[(2R,3R,4S,5R)-5-[[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]imidazo[2,1-f]purine-5-sulfonic acid

  • Molecular FormulaC22H25N10O14PS
  • Average mass716.531 Da
  • Monoisotopic mass716.101013 Da
  • ChemSpider ID164849

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

1,N(6)-Ethenoadenosine-2-sulfonate guanosine 3'-phosphodiester
73962-12-6 [RN]
GEADS
Guanosine, N,6-didehydro-N,1-(1,2-ethenediyl)-1,6-dihydro-2-sulfoadenylyl-(5'-3')-

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

Density: 2.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 2.032
Molar Refractivity: 147.2±0.5 cm3
#H bond acceptors: 24
#H bond donors: 9
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -2.60
ACD/LogD (pH 5.5): -8.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 361 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 159.2±7.0 dyne/cm
Molar Volume: 288.2±7.0 cm3

Click to predict properties on the Chemicalize site


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