ChemSpider 2D Image | [(2S,3R,4S,5S)-5-[4-carbamoyl-5-[[[(2S,3S,4R,5S)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]amino]methyleneamino]imidazol-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate | C15H25N5O15P2

[(2S,3R,4S,5S)-5-[4-carbamoyl-5-[[[(2S,3S,4R,5S)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]amino]methyleneamino]imidazol-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate

  • Molecular FormulaC15H25N5O15P2
  • Average mass577.331 Da
  • Monoisotopic mass577.082214 Da
  • ChemSpider ID21230407

More details:






Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.3±0.1 g/cm3
Boiling Point: 1119.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 172.5±3.0 kJ/mol
Flash Point: 630.7±37.1 °C
Index of Refraction: 1.823
Molar Refractivity: 107.7±0.5 cm3
#H bond acceptors: 20
#H bond donors: 11
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -0.83
ACD/LogD (pH 5.5): -7.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 338 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 143.2±7.0 dyne/cm
Molar Volume: 246.7±7.0 cm3

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