ChemSpider 2D Image | (1S,4R,7R,13R,19R,23S)-17-Benzoyl-23-hydroxy-13-(1H-indol-3-ylmethyl)-4-isobutyl-20-oxa-2,5,11,14,17-pentaazatricyclo[17.3.1.0~7,11~]tricosane-3,6,12,15-tetrone | C37H46N6O7

(1S,4R,7R,13R,19R,23S)-17-Benzoyl-23-hydroxy-13-(1H-indol-3-ylmethyl)-4-isobutyl-20-oxa-2,5,11,14,17-pentaazatricyclo[17.3.1.07,11]tricosane-3,6,12,15-tetrone

  • Molecular FormulaC37H46N6O7
  • Average mass686.797 Da
  • Monoisotopic mass686.342773 Da
  • ChemSpider ID71351891

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1S,4R,7R,13R,19R,23S)-17-Benzoyl-23-hydroxy-13-(1H-indol-3-ylmethyl)-4-isobutyl-20-oxa-2,5,11,14,17-pentaazatricyclo[17.3.1.07,11]tricosan-3,6,12,15-tetron [German] [ACD/IUPAC Name]
(1S,4R,7R,13R,19R,23S)-17-Benzoyl-23-hydroxy-13-(1H-indol-3-ylmethyl)-4-isobutyl-20-oxa-2,5,11,14,17-pentaazatricyclo[17.3.1.07,11]tricosane-3,6,12,15-tetrone [ACD/IUPAC Name]
(1S,4R,7R,13R,19R,23S)-17-Benzoyl-23-hydroxy-13-(1H-indol-3-ylméthyl)-4-isobutyl-20-oxa-2,5,11,14,17-pentaazatricyclo[17.3.1.07,11]tricosane-3,6,12,15-tétrone [French] [ACD/IUPAC Name]
6,10-Methanopyrrolo[1,2-j][1,4,7,10,13,16]oxapentaazacyclononadecine-1,4,14,17-tetrone, 12-benzoylhexadecahydro-22-hydroxy-16-(1H-indol-3-ylmethyl)-3-(2-methylpropyl)-, (3R,6S,10R,16R,21aR,22S)- [ACD/Index 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: 1062.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 163.1±3.0 kJ/mol
Flash Point: 596.5±34.3 °C
Index of Refraction: 1.656
Molar Refractivity: 185.7±0.4 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: -1.08
ACD/LogD (pH 5.5): 0.51
ACD/BCF (pH 5.5): 1.43
ACD/KOC (pH 5.5): 44.87
ACD/LogD (pH 7.4): 0.51
ACD/BCF (pH 7.4): 1.43
ACD/KOC (pH 7.4): 44.87
Polar Surface Area: 173 Å2
Polarizability: 73.6±0.5 10-24cm3
Surface Tension: 70.3±5.0 dyne/cm
Molar Volume: 505.3±5.0 cm3

Click to predict properties on the Chemicalize site


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