ChemSpider 2D Image | 1-[{2,7-Bis[(2R,6S)-2,6-dimethyl-4-morpholinyl]-6-phenyl-4-pteridinyl}(2-hydroxyethyl)amino]-2-methyl-2-propanol | C30H43N7O4

1-[{2,7-Bis[(2R,6S)-2,6-dimethyl-4-morpholinyl]-6-phenyl-4-pteridinyl}(2-hydroxyethyl)amino]-2-methyl-2-propanol

  • Molecular FormulaC30H43N7O4
  • Average mass565.707 Da
  • Monoisotopic mass565.337646 Da
  • ChemSpider ID116681

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1-[{2,7-Bis[(2R,6S)-2,6-dimethyl-4-morpholinyl]-6-phenyl-4-pteridinyl}(2-hydroxyethyl)amino]-2-methyl-2-propanol [ACD/IUPAC Name]
1-[{2,7-Bis[(2R,6S)-2,6-dimethyl-4-morpholinyl]-6-phenyl-4-pteridinyl}(2-hydroxyethyl)amino]-2-methyl-2-propanol [German] [ACD/IUPAC Name]
1-[{2,7-Bis[(2R,6S)-2,6-diméthyl-4-morpholinyl]-6-phényl-4-ptéridinyl}(2-hydroxyéthyl)amino]-2-méthyl-2-propanol [French] [ACD/IUPAC Name]
2-Propanol, 1-[[2,7-bis[(2R,6S)-2,6-dimethyl-4-morpholinyl]-6-phenyl-4-pteridinyl](2-hydroxyethyl)amino]-2-methyl- [ACD/Index Name]
1-[[2,7-bis[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-phenylpteridin-4-yl]-(2-hydroxyethyl)amino]-2-methylpropan-2-ol
1-[[2,7-bis[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-phenylpteridin-4-yl]-(2-hydroxyethyl)amino]-2-methylpropan-2-ol
137694-16-7 [RN]
2-Propanol, 1-((2,7-bis(2,6-dimethyl-4-morpholinyl)-6-phenyl-4-pteridinyl)(2-hydroxyethyl)amino)-2-methyl-, (cis(cis))-
4-(N-(2-Hydroxy-2-methylpropyl)ethanolamino)-2,7-bis(cis-2,6-dimethylmorpholino)-6-phenylpteridine
Bibw22 BS

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

Bibw 22 [DBID]
Bibw-22 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 751.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.9±3.0 kJ/mol
Flash Point: 408.3±35.7 °C
Index of Refraction: 1.598
Molar Refractivity: 159.4±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.17
ACD/LogD (pH 5.5): 0.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.51
ACD/LogD (pH 7.4): 1.48
ACD/BCF (pH 7.4): 3.45
ACD/KOC (pH 7.4): 31.74
Polar Surface Area: 120 Å2
Polarizability: 63.2±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 467.4±3.0 cm3

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