ChemSpider 2D Image | [(2S,6R)-6-[6-(allylamino)purin-9-yl]-4-(2-morpholinoethyl)morpholin-2-yl]methanol | C19H29N7O3

[(2S,6R)-6-[6-(allylamino)purin-9-yl]-4-(2-morpholinoethyl)morpholin-2-yl]methanol

  • Molecular FormulaC19H29N7O3
  • Average mass403.479 Da
  • Monoisotopic mass403.233185 Da
  • ChemSpider ID28654515

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

{(2S,6R)-6-[6-(Allylamino)-9H-purin-9-yl]-4-[2-(4-morpholinyl)ethyl]-2-morpholinyl}methanol [German] [ACD/IUPAC Name]
{(2S,6R)-6-[6-(Allylamino)-9H-purin-9-yl]-4-[2-(4-morpholinyl)ethyl]-2-morpholinyl}methanol [ACD/IUPAC Name]
{(2S,6R)-6-[6-(Allylamino)-9H-purin-9-yl]-4-[2-(4-morpholinyl)éthyl]-2-morpholinyl}méthanol [French] [ACD/IUPAC Name]
2-Morpholinemethanol, 4-[2-(4-morpholinyl)ethyl]-6-[6-(2-propen-1-ylamino)-9H-purin-9-yl]-, (2S,6R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 601.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.2±3.0 kJ/mol
Flash Point: 317.7±34.3 °C
Index of Refraction: 1.678
Molar Refractivity: 107.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 0.88
ACD/LogD (pH 5.5): -1.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 27.17
Polar Surface Area: 101 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 58.2±7.0 dyne/cm
Molar Volume: 284.9±7.0 cm3

Click to predict properties on the Chemicalize site


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