ChemSpider 2D Image | N-[(3S,6R,10R,14R,15aS)-10-(1H-Indol-3-ylmethyl)-3-isopropyl-6-methyl-1,8,11-trioxotetradecahydro-1H-pyrrolo[2,1-c][1,4,7]triazacyclotridecin-14-yl]-2,5-dimethyl-3-furamide | C33H43N5O5

N-[(3S,6R,10R,14R,15aS)-10-(1H-Indol-3-ylmethyl)-3-isopropyl-6-methyl-1,8,11-trioxotetradecahydro-1H-pyrrolo[2,1-c][1,4,7]triazacyclotridecin-14-yl]-2,5-dimethyl-3-furamide

  • Molecular FormulaC33H43N5O5
  • Average mass589.725 Da
  • Monoisotopic mass589.326416 Da
  • ChemSpider ID71343747

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

3-Furancarboxamide, 2,5-dimethyl-N-[(3S,6R,10R,14R,15aS)-tetradecahydro-10-(1H-indol-3-ylmethyl)-6-methyl-3-(1-methylethyl)-1,8,11-trioxo-1H-pyrrolo[2,1-c][1,4,7]triazacyclotridecin-14-yl]- [ACD/Index Name]
N-[(3S,6R,10R,14R,15aS)-10-(1H-Indol-3-ylmethyl)-3-isopropyl-6-methyl-1,8,11-trioxotetradecahydro-1H-pyrrolo[2,1-c][1,4,7]triazacyclotridecin-14-yl]-2,5-dimethyl-3-furamid [German] [ACD/IUPAC Name]
N-[(3S,6R,10R,14R,15aS)-10-(1H-Indol-3-ylmethyl)-3-isopropyl-6-methyl-1,8,11-trioxotetradecahydro-1H-pyrrolo[2,1-c][1,4,7]triazacyclotridecin-14-yl]-2,5-dimethyl-3-furamide [ACD/IUPAC Name]
N-[(3S,6R,10R,14R,15aS)-10-(1H-Indol-3-ylméthyl)-3-isopropyl-6-méthyl-1,8,11-trioxotétradécahydro-1H-pyrrolo[2,1-c][1,4,7]triazacyclotridécin-14-yl]-2,5-diméthyl-3-furamide [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: 865.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 125.8±3.0 kJ/mol
Flash Point: 477.4±34.3 °C
Index of Refraction: 1.618
Molar Refractivity: 163.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 2.09
ACD/LogD (pH 5.5): 3.34
ACD/BCF (pH 5.5): 203.63
ACD/KOC (pH 5.5): 1563.13
ACD/LogD (pH 7.4): 3.34
ACD/BCF (pH 7.4): 203.63
ACD/KOC (pH 7.4): 1563.13
Polar Surface Area: 137 Å2
Polarizability: 64.9±0.5 10-24cm3
Surface Tension: 59.5±5.0 dyne/cm
Molar Volume: 467.2±5.0 cm3

Click to predict properties on the Chemicalize site


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