ChemSpider 2D Image | N-{2-(Diethylamino)-5-[ethyl(methylsulfonyl)amino]-4-pyrimidinyl}-O-(1-pyrrolidinylcarbonyl)-L-tyrosine | C25H36N6O6S

N-{2-(Diethylamino)-5-[ethyl(methylsulfonyl)amino]-4-pyrimidinyl}-O-(1-pyrrolidinylcarbonyl)-L-tyrosine

  • Molecular FormulaC25H36N6O6S
  • Average mass548.655 Da
  • Monoisotopic mass548.241699 Da
  • ChemSpider ID30824708

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Tyrosine, N-[2-(diethylamino)-5-[ethyl(methylsulfonyl)amino]-4-pyrimidinyl]-O-(1-pyrrolidinylcarbonyl)- [ACD/Index Name]
N-{2-(Diethylamino)-5-[ethyl(methylsulfonyl)amino]-4-pyrimidinyl}-O-(1-pyrrolidinylcarbonyl)-L-tyrosin [German] [ACD/IUPAC Name]
N-{2-(Diethylamino)-5-[ethyl(methylsulfonyl)amino]-4-pyrimidinyl}-O-(1-pyrrolidinylcarbonyl)-L-tyrosine [ACD/IUPAC Name]
N-{2-(Diéthylamino)-5-[éthyl(méthylsulfonyl)amino]-4-pyrimidinyl}-O-(1-pyrrolidinylcarbonyl)-L-tyrosine [French] [ACD/IUPAC 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: 758.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.0±3.0 kJ/mol
Flash Point: 412.6±35.7 °C
Index of Refraction: 1.621
Molar Refractivity: 142.1±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 4.57
ACD/LogD (pH 5.5): 1.38
ACD/BCF (pH 5.5): 1.83
ACD/KOC (pH 5.5): 11.67
ACD/LogD (pH 7.4): 0.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.62
Polar Surface Area: 154 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 69.7±3.0 dyne/cm
Molar Volume: 404.1±3.0 cm3

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