ChemSpider 2D Image | 5'-O-{Hydroxy[3-(4-methylphenoxy)-3-oxopropoxy]phosphoryl}adenosine | C20H24N5O9P

5'-O-{Hydroxy[3-(4-methylphenoxy)-3-oxopropoxy]phosphoryl}adenosine

  • Molecular FormulaC20H24N5O9P
  • Average mass509.406 Da
  • Monoisotopic mass509.131165 Da
  • ChemSpider ID170460

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

5'-O-{Hydroxy[3-(4-methylphenoxy)-3-oxopropoxy]phosphoryl}adenosin [German] [ACD/IUPAC Name]
5'-O-{Hydroxy[3-(4-methylphenoxy)-3-oxopropoxy]phosphoryl}adenosine [ACD/IUPAC Name]
5'-O-{Hydroxy[3-(4-méthylphénoxy)-3-oxopropoxy]phosphoryl}adénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-O-[hydroxy[3-(4-methylphenoxy)-3-oxopropoxy]phosphinyl]- [ACD/Index Name]
125882-88-4 [RN]
4-Tolyloxycarbonyl-2-ethyl adenosine monophosphate
4-Tolyloxycarbonyl-2-ethyl amp
5'-Adenylic acid, mono(3-(4-methylphenoxy)-3-oxopropyl) ester
p-Tolyl 3-(((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)propanoate

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

RP 53801 [DBID]
RP-53801 [DBID]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 813.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.0±3.0 kJ/mol
Flash Point: 446.0±37.1 °C
Index of Refraction: 1.720
Molar Refractivity: 116.0±0.5 cm3
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 1.05
ACD/LogD (pH 5.5): -3.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 211 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 79.8±7.0 dyne/cm
Molar Volume: 293.7±7.0 cm3

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