ChemSpider 2D Image | (19S)-19-Ethyl-25-fluoro-4-methoxy-13-[(2R)-tetrahydro-2-furanylcarbonyl]-2-oxa-9,13,18,21-tetraazatricyclo[21.2.2.1~3,7~]octacosa-1(25),3(28),4,6,23,26-hexaene-8,17,20-trione | C31H39FN4O7

(19S)-19-Ethyl-25-fluoro-4-methoxy-13-[(2R)-tetrahydro-2-furanylcarbonyl]-2-oxa-9,13,18,21-tetraazatricyclo[21.2.2.13,7]octacosa-1(25),3(28),4,6,23,26-hexaene-8,17,20-trione

  • Molecular FormulaC31H39FN4O7
  • Average mass598.662 Da
  • Monoisotopic mass598.280273 Da
  • ChemSpider ID81383431

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(19S)-19-Ethyl-25-fluor-4-methoxy-13-[(2R)-tetrahydro-2-furanylcarbonyl]-2-oxa-9,13,18,21-tetraazatricyclo[21.2.2.13,7]octacosa-1(25),3(28),4,6,23,26-hexaen-8,17,20-trion [German] [ACD/IUPAC Name]
(19S)-19-Ethyl-25-fluoro-4-methoxy-13-[(2R)-tetrahydro-2-furanylcarbonyl]-2-oxa-9,13,18,21-tetraazatricyclo[21.2.2.13,7]octacosa-1(25),3(28),4,6,23,26-hexaene-8,17,20-trione [ACD/IUPAC Name]
(19S)-19-Éthyl-25-fluoro-4-méthoxy-13-[(2R)-tétrahydro-2-furanylcarbonyl]-2-oxa-9,13,18,21-tétraazatricyclo[21.2.2.13,7]octacosa-1(25),3(28),4,6,23,26-hexaène-8,17,20-trione [French] [ACD/IUPAC Name]
2-Oxa-9,13,18,21-tetraazatricyclo[21.2.2.13,7]octacosa-3,5,7(28),23,25,26-hexaene-8,17,20-trione, 19-ethyl-25-fluoro-4-methoxy-13-[[(2R)-tetrahydro-2-furanyl]carbonyl]-, (19S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 936.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.4±3.0 kJ/mol
Flash Point: 520.2±34.3 °C
Index of Refraction: 1.520
Molar Refractivity: 154.1±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: -0.76
ACD/LogD (pH 5.5): 0.97
ACD/BCF (pH 5.5): 3.23
ACD/KOC (pH 5.5): 80.63
ACD/LogD (pH 7.4): 0.97
ACD/BCF (pH 7.4): 3.23
ACD/KOC (pH 7.4): 80.63
Polar Surface Area: 135 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 39.5±3.0 dyne/cm
Molar Volume: 506.9±3.0 cm3

Click to predict properties on the Chemicalize site


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