ChemSpider 2D Image | (4R,7R,10S,13S,15E,17R,19S)-4-(3-Bromo-4-hydroxyphenyl)-7-[(2-bromo-1H-indol-3-yl)methyl]-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone | C36H44Br2N4O6

(4R,7R,10S,13S,15E,17R,19S)-4-(3-Bromo-4-hydroxyphenyl)-7-[(2-bromo-1H-indol-3-yl)methyl]-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone

  • Molecular FormulaC36H44Br2N4O6
  • Average mass788.566 Da
  • Monoisotopic mass786.162720 Da
  • ChemSpider ID28518827
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres


More details:






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

(4R,7R,10S,13S,15E,17R,19S)-4-(3-Brom-4-hydroxyphenyl)-7-[(2-brom-1H-indol-3-yl)methyl]-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadec-15-en-2,6,9,12-tetron [German] [ACD/IUPAC Name]
(4R,7R,10S,13S,15E,17R,19S)-4-(3-Bromo-4-hydroxyphenyl)-7-[(2-bromo-1H-indol-3-yl)methyl]-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone [ACD/IUPAC Name]
(4R,7R,10S,13S,15E,17R,19S)-4-(3-Bromo-4-hydroxyphényl)-7-[(2-bromo-1H-indol-3-yl)méthyl]-8,10,13,15,17,19-hexaméthyl-1-oxa-5,8,11-triazacyclononadéc-15-ène-2,6,9,12-tétrone [French] [ACD/IUPAC Name]
1-Oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone, 4-(3-bromo-4-hydroxyphenyl)-7-[(2-bromo-1H-indol-3-yl)methyl]-8,10,13,15,17,19-hexamethyl-, (4R,7R,10S,13S,15E,17R,19S)- [ACD/Index Name]
pipestilide A

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 968.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 146.0±3.0 kJ/mol
Flash Point: 539.7±34.3 °C
Index of Refraction: 1.562
Molar Refractivity: 192.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 5.23
ACD/LogD (pH 5.5): 5.42
ACD/BCF (pH 5.5): 7773.07
ACD/KOC (pH 5.5): 21195.35
ACD/LogD (pH 7.4): 5.36
ACD/BCF (pH 7.4): 6758.82
ACD/KOC (pH 7.4): 18429.72
Polar Surface Area: 141 Å2
Polarizability: 76.3±0.5 10-24cm3
Surface Tension: 41.6±3.0 dyne/cm
Molar Volume: 594.2±3.0 cm3

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