ChemSpider 2D Image | 8-({3-[4-(Isobutoxycarbonyl)phenoxy]-2-oxopropyl}sulfanyl)adenosine | C24H29N5O8S

8-({3-[4-(Isobutoxycarbonyl)phenoxy]-2-oxopropyl}sulfanyl)adenosine

  • Molecular FormulaC24H29N5O8S
  • Average mass547.581 Da
  • Monoisotopic mass547.173706 Da
  • ChemSpider ID8658004

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

8-({3-[4-(Isobutoxycarbonyl)phenoxy]-2-oxopropyl}sulfanyl)adenosin [German] [ACD/IUPAC Name]
8-({3-[4-(Isobutoxycarbonyl)phenoxy]-2-oxopropyl}sulfanyl)adenosine [ACD/IUPAC Name]
8-({3-[4-(Isobutoxycarbonyl)phénoxy]-2-oxopropyl}sulfanyl)adénosine [French] [ACD/IUPAC Name]
Adenosine, 8-[[3-[4-[(2-methylpropoxy)carbonyl]phenoxy]-2-oxopropyl]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: 830.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.6±3.0 kJ/mol
Flash Point: 456.3±37.1 °C
Index of Refraction: 1.705
Molar Refractivity: 133.9±0.5 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 2.41
ACD/LogD (pH 5.5): 1.43
ACD/BCF (pH 5.5): 7.25
ACD/KOC (pH 5.5): 143.44
ACD/LogD (pH 7.4): 1.44
ACD/BCF (pH 7.4): 7.29
ACD/KOC (pH 7.4): 144.28
Polar Surface Area: 217 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 66.1±7.0 dyne/cm
Molar Volume: 344.6±7.0 cm3

Click to predict properties on the Chemicalize site


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