ChemSpider 2D Image | 3'-Deoxy-2',5'-bis-O-[hydroxy(1H-imidazol-1-yl)phosphoryl]adenosine | C16H19N9O7P2

3'-Deoxy-2',5'-bis-O-[hydroxy(1H-imidazol-1-yl)phosphoryl]adenosine

  • Molecular FormulaC16H19N9O7P2
  • Average mass511.326 Da
  • Monoisotopic mass511.088257 Da
  • ChemSpider ID169184

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

3'-Deoxy-2',5'-bis-O-[hydroxy(1H-imidazol-1-yl)phosphoryl]adenosine [ACD/IUPAC Name]
3'-Desoxy-2',5'-bis-O-[hydroxy(1H-imidazol-1-yl)phosphoryl]adenosin [German] [ACD/IUPAC Name]
3'-Désoxy-2',5'-bis-O-[hydroxy(1H-imidazol-1-yl)phosphoryl]adénosine [French] [ACD/IUPAC Name]
Adenosine, 3'-deoxy-2',5'-bis-O-(hydroxy-1H-imidazol-1-ylphosphinyl)- [ACD/Index Name]
113888-20-3 [RN]
3'-Deoxyadenosine-2',5'-diphosphoimidazolide
Impd(3')apim

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

Density: 2.0±0.1 g/cm3
Boiling Point: 888.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.3±3.0 kJ/mol
Flash Point: 491.2±37.1 °C
Index of Refraction: 1.876
Molar Refractivity: 113.9±0.5 cm3
#H bond acceptors: 16
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -3.49
ACD/LogD (pH 5.5): -6.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 227 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 123.3±7.0 dyne/cm
Molar Volume: 249.4±7.0 cm3

Click to predict properties on the Chemicalize site


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