ChemSpider 2D Image | 8-({2-[4-(Isobutoxycarbonyl)phenoxy]ethyl}sulfanyl)adenosine | C23H29N5O7S

8-({2-[4-(Isobutoxycarbonyl)phenoxy]ethyl}sulfanyl)adenosine

  • Molecular FormulaC23H29N5O7S
  • Average mass519.571 Da
  • Monoisotopic mass519.178772 Da
  • ChemSpider ID8499819

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

8-({2-[4-(Isobutoxycarbonyl)phenoxy]ethyl}sulfanyl)adenosin [German] [ACD/IUPAC Name]
8-({2-[4-(Isobutoxycarbonyl)phenoxy]ethyl}sulfanyl)adenosine [ACD/IUPAC Name]
8-({2-[4-(Isobutoxycarbonyl)phénoxy]éthyl}sulfanyl)adénosine [French] [ACD/IUPAC Name]
Adenosine, 8-[[2-[4-[(2-methylpropoxy)carbonyl]phenoxy]ethyl]thio]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 814.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.1±3.0 kJ/mol
Flash Point: 446.4±37.1 °C
Index of Refraction: 1.702
Molar Refractivity: 128.4±0.5 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 3.02
ACD/LogD (pH 5.5): 2.06
ACD/BCF (pH 5.5): 21.45
ACD/KOC (pH 5.5): 311.55
ACD/LogD (pH 7.4): 2.06
ACD/BCF (pH 7.4): 21.66
ACD/KOC (pH 7.4): 314.49
Polar Surface Area: 200 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 64.3±7.0 dyne/cm
Molar Volume: 331.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement