ChemSpider 2D Image | N-[(7R,13S,16R,19S)-13-Isobutyl-16-methyl-6,12,15,18-tetraoxo-2-oxa-5,11,14,17-tetraazatricyclo[19.2.2.0~7,11~]pentacosa-1(23),21,24-trien-19-yl]-9H-fluorene-9-carboxamide | C39H45N5O6

N-[(7R,13S,16R,19S)-13-Isobutyl-16-methyl-6,12,15,18-tetraoxo-2-oxa-5,11,14,17-tetraazatricyclo[19.2.2.07,11]pentacosa-1(23),21,24-trien-19-yl]-9H-fluorene-9-carboxamide

  • Molecular FormulaC39H45N5O6
  • Average mass679.805 Da
  • Monoisotopic mass679.336975 Da
  • ChemSpider ID71276011

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

9H-Fluorene-9-carboxamide, N-[(11S,14R,17S,22aR)-1,2,3,4,11,12,13,14,15,16,17,18,20,21,22,22a-hexadecahydro-14-methyl-17-(2-methylpropyl)-1,12,15,18-tetraoxo-6,9-etheno-10H-pyrrolo[2,1-f][1,4,7,10,13] oxatetraazacycloeicosin-11-yl]- [ACD/Index Name]
N-[(7R,13S,16R,19S)-13-Isobutyl-16-methyl-6,12,15,18-tetraoxo-2-oxa-5,11,14,17-tetraazatricyclo[19.2.2.07,11]pentacosa-1(23),21,24-trien-19-yl]-9H-fluoren-9-carboxamid [German] [ACD/IUPAC Name]
N-[(7R,13S,16R,19S)-13-Isobutyl-16-methyl-6,12,15,18-tetraoxo-2-oxa-5,11,14,17-tetraazatricyclo[19.2.2.07,11]pentacosa-1(23),21,24-trien-19-yl]-9H-fluorene-9-carboxamide [ACD/IUPAC Name]
N-[(7R,13S,16R,19S)-13-Isobutyl-16-méthyl-6,12,15,18-tétraoxo-2-oxa-5,11,14,17-tétraazatricyclo[19.2.2.07,11]pentacosa-1(23),21,24-trién-19-yl]-9H-fluorène-9-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1042.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 152.8±3.0 kJ/mol
Flash Point: 584.1±34.3 °C
Index of Refraction: 1.641
Molar Refractivity: 188.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 2.75
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 79.55
ACD/KOC (pH 5.5): 797.68
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 79.55
ACD/KOC (pH 7.4): 797.67
Polar Surface Area: 146 Å2
Polarizability: 74.5±0.5 10-24cm3
Surface Tension: 63.8±5.0 dyne/cm
Molar Volume: 520.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement