ChemSpider 2D Image | [[(2R,3S,4R,5R)-5-(6-amino-7,8-dihydropurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5S)-5-(3-carbamoyl-1,2-dihydropyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate | C21H31N7O14P2

[[(2R,3S,4R,5R)-5-(6-amino-7,8-dihydropurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5S)-5-(3-carbamoyl-1,2-dihydropyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate

  • Molecular FormulaC21H31N7O14P2
  • Average mass667.457 Da
  • Monoisotopic mass667.140442 Da
  • ChemSpider ID109486165

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

Density:
Boiling Point: 1071.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 164.5±3.0 kJ/mol
Flash Point: 601.6±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 21
#H bond donors: 11
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -4.02
ACD/LogD (pH 5.5): -8.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 339 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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