ChemSpider 2D Image | 1-(2-Deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-5-nitro-1H-indole | C13H15N2O8P

1-(2-Deoxy-5-O-phosphono-β-D-erythro-pentofuranosyl)-5-nitro-1H-indole

  • Molecular FormulaC13H15N2O8P
  • Average mass358.241 Da
  • Monoisotopic mass358.056610 Da
  • ChemSpider ID25059115
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

1-(2-Deoxy-5-O-phosphono-β-D-erythro-pentofuranosyl)-5-nitro-1H-indole [ACD/IUPAC Name]
1-(2-Desoxy-5-O-phosphono-β-D-erythro-pentofuranosyl)-5-nitro-1H-indol [German] [ACD/IUPAC Name]
1-(2-Désoxy-5-O-phosphono-β-D-érythro-pentofuranosyl)-5-nitro-1H-indole [French] [ACD/IUPAC Name]
1H-Indole, 1-(2-deoxy-5-O-phosphono-β-D-erythro-pentofuranosyl)-5-nitro- [ACD/Index Name]
[(2R,3S,5R)-3-hydroxy-5-(5-nitroindol-1-yl)oxolan-2-yl]methoxyphosphonic acid
{[(2R,3S,5R)-3-hydroxy-5-(5-nitro-1H-indol-1-yl)oxolan-2-yl]methoxy}phosphonic acid

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

Density: 1.8±0.1 g/cm3
Boiling Point: 697.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.2±3.0 kJ/mol
Flash Point: 375.4±34.3 °C
Index of Refraction: 1.725
Molar Refractivity: 77.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.62
ACD/LogD (pH 5.5): -3.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 157 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 92.4±7.0 dyne/cm
Molar Volume: 195.1±7.0 cm3

Click to predict properties on the Chemicalize site






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