ChemSpider 2D Image | (3Z,7R,10S,13S,15E,17R,19S)-7-[(2-Bromo-1H-indol-3-yl)methyl]-4-(2,5-dihydroxyphenyl)-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadeca-3,15-diene-2,6,9,12-tetrone | C36H43BrN4O7

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

  • Molecular FormulaC36H43BrN4O7
  • Average mass723.653 Da
  • Monoisotopic mass722.231506 Da
  • ChemSpider ID8029038

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3Z,7R,10S,13S,15E,17R,19S)-7-[(2-Brom-1H-indol-3-yl)methyl]-4-(2,5-dihydroxyphenyl)-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadeca-3,15-dien-2,6,9,12-tetron [German] [ACD/IUPAC Name]
(3Z,7R,10S,13S,15E,17R,19S)-7-[(2-Bromo-1H-indol-3-yl)methyl]-4-(2,5-dihydroxyphenyl)-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadeca-3,15-diene-2,6,9,12-tetrone [ACD/IUPAC Name]
(3Z,7R,10S,13S,15E,17R,19S)-7-[(2-Bromo-1H-indol-3-yl)méthyl]-4-(2,5-dihydroxyphényl)-8,10,13,15,17,19-hexaméthyl-1-oxa-5,8,11-triazacyclononadéca-3,15-diène-2,6,9,12-tétrone [French] [ACD/IUPAC Name]
1-Oxa-5,8,11-triazacyclononadeca-3,15-diene-2,6,9,12-tetrone, 7-[(2-bromo-1H-indol-3-yl)methyl]-4-(2,5-dihydroxyphenyl)-8,10,13,15,17,19-hexamethyl-, (3Z,7R,10S,13S,15E,17R,19S)- [ACD/Index 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: 1005.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 151.7±3.0 kJ/mol
Flash Point: 561.6±34.3 °C
Index of Refraction: 1.570
Molar Refractivity: 186.4±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 4
ACD/LogP: 5.49
ACD/LogD (pH 5.5): 4.96
ACD/BCF (pH 5.5): 3481.99
ACD/KOC (pH 5.5): 11927.63
ACD/LogD (pH 7.4): 4.96
ACD/BCF (pH 7.4): 3478.18
ACD/KOC (pH 7.4): 11914.58
Polar Surface Area: 161 Å2
Polarizability: 73.9±0.5 10-24cm3
Surface Tension: 43.6±3.0 dyne/cm
Molar Volume: 567.7±3.0 cm3

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