ChemSpider 2D Image | 3-Nitro-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-pyrrole | C9H13N2O9P

3-Nitro-1-(5-O-phosphono-β-D-ribofuranosyl)-1H-pyrrole

  • Molecular FormulaC9H13N2O9P
  • Average mass324.181 Da
  • Monoisotopic mass324.035858 Da
  • ChemSpider ID24610717

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1H-Pyrrole, 3-nitro-1-(5-O-phosphono-β-D-ribofuranosyl)- [ACD/Index Name]
3-Nitro-1-(5-O-phosphono-β-D-ribofuranosyl)-1H-pyrrol [German] [ACD/IUPAC Name]
3-Nitro-1-(5-O-phosphono-β-D-ribofuranosyl)-1H-pyrrole [ACD/IUPAC Name]
3-Nitro-1-(5-O-phosphono-β-D-ribofuranosyl)-1H-pyrrole [French] [ACD/IUPAC Name]

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

Density: 2.1±0.1 g/cm3
Boiling Point: 671.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.6±3.0 kJ/mol
Flash Point: 359.8±34.3 °C
Index of Refraction: 1.729
Molar Refractivity: 62.4±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -0.19
ACD/LogD (pH 5.5): -5.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 177 Å2
Polarizability: 24.8±0.5 10-24cm3
Surface Tension: 113.3±7.0 dyne/cm
Molar Volume: 156.5±7.0 cm3

Click to predict properties on the Chemicalize site


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