ChemSpider 2D Image | 9-{5-O-[({[Dibromo(phosphono)methyl](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]-beta-D-arabinofuranosyl}-N,N-diethyl-9H-purin-6-amine | C15H24Br2N5O12P3

9-{5-O-[({[Dibromo(phosphono)methyl](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]-β-D-arabinofuranosyl}-N,N-diethyl-9H-purin-6-amine

  • Molecular FormulaC15H24Br2N5O12P3
  • Average mass719.107 Da
  • Monoisotopic mass716.900085 Da
  • ChemSpider ID26374843

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

9-{5-O-[({[Dibrom(phosphono)methyl](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]-β-D-arabinofuranosyl}-N,N-diethyl-9H-purin-6-amin [German] [ACD/IUPAC Name]
9-{5-O-[({[Dibromo(phosphono)methyl](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]-β-D-arabinofuranosyl}-N,N-diethyl-9H-purin-6-amine [ACD/IUPAC Name]
9-{5-O-[({[Dibromo(phosphono)méthyl](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]-β-D-arabinofuranosyl}-N,N-diéthyl-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-[5-O-[[[(dibromophosphonomethyl)hydroxyphosphinyl]oxy]hydroxyphosphinyl]-β-D-arabinofuranosyl]-N,N-diethyl- [ACD/Index Name]

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

Density: 2.3±0.1 g/cm3
Boiling Point: 879.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.9±3.0 kJ/mol
Flash Point: 485.7±37.1 °C
Index of Refraction: 1.774
Molar Refractivity: 128.8±0.5 cm3
#H bond acceptors: 17
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -0.01
ACD/LogD (pH 5.5): -7.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 277 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 113.9±7.0 dyne/cm
Molar Volume: 308.8±7.0 cm3

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