ChemSpider 2D Image | {Dibromo[{[({(2R,3S,4R,5R)-5-[6-(diethylamino)-9H-purin-9-yl]-3,4-dihydroxytetrahydro-2-furanyl}oxy)(methoxy)phosphoryl]oxy}(hydroxy)phosphoryl]methyl}phosphonic acid | C15H24Br2N5O12P3

{Dibromo[{[({(2R,3S,4R,5R)-5-[6-(diethylamino)-9H-purin-9-yl]-3,4-dihydroxytetrahydro-2-furanyl}oxy)(methoxy)phosphoryl]oxy}(hydroxy)phosphoryl]methyl}phosphonic acid

  • Molecular FormulaC15H24Br2N5O12P3
  • Average mass719.107 Da
  • Monoisotopic mass716.900085 Da
  • ChemSpider ID68024096

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

{Dibrom[{[({(2R,3S,4R,5R)-5-[6-(diethylamino)-9H-purin-9-yl]-3,4-dihydroxytetrahydro-2-furanyl}oxy)(methoxy)phosphoryl]oxy}(hydroxy)phosphoryl]methyl}phosphonsäure [German] [ACD/IUPAC Name]
{Dibromo[{[({(2R,3S,4R,5R)-5-[6-(diethylamino)-9H-purin-9-yl]-3,4-dihydroxytetrahydro-2-furanyl}oxy)(methoxy)phosphoryl]oxy}(hydroxy)phosphoryl]methyl}phosphonic acid [ACD/IUPAC Name]
Acide {dibromo[{[({(2R,3S,4R,5R)-5-[6-(diéthylamino)-9H-purin-9-yl]-3,4-dihydroxytétrahydro-2-furanyl}oxy)(méthoxy)phosphoryl]oxy}(hydroxy)phosphoryl]méthyl}phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [dibromo[[[[[(2R,3S,4R,5R)-5-[6-(diethylamino)-9H-purin-9-yl]tetrahydro-3,4-dihydroxy-2-furanyl]oxy]methoxyphosphinyl]oxy]hydroxyphosphinyl]methyl]- [ACD/Index Name]
1021868-83-6 [RN]
ARL 67156

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

Density: 2.3±0.1 g/cm3
Boiling Point: 830.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.5±3.0 kJ/mol
Flash Point: 456.0±37.1 °C
Index of Refraction: 1.749
Molar Refractivity: 129.1±0.5 cm3
#H bond acceptors: 17
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 0.68
ACD/LogD (pH 5.5): -5.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 266 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 104.8±7.0 dyne/cm
Molar Volume: 317.2±7.0 cm3

Click to predict properties on the Chemicalize site


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