ChemSpider 2D Image | (4R,7R,10S,13S,15E,17R,19S)-7-(2-Hydroxy-4-oxo-1,4-dihydro-3-quinolinyl)-4-(4-hydroxyphenyl)-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone | C36H44N4O8

(4R,7R,10S,13S,15E,17R,19S)-7-(2-Hydroxy-4-oxo-1,4-dihydro-3-quinolinyl)-4-(4-hydroxyphenyl)-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone

  • Molecular FormulaC36H44N4O8
  • Average mass660.757 Da
  • Monoisotopic mass660.315918 Da
  • ChemSpider ID29214698

  • 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)-7-(2-Hydroxy-4-oxo-1,4-dihydro-3-chinolinyl)-4-(4-hydroxyphenyl)-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)-7-(2-Hydroxy-4-oxo-1,4-dihydro-3-quinoléinyl)-4-(4-hydroxyphényl)-8,10,13,15,17,19-hexaméthyl-1-oxa-5,8,11-triazacyclononadéc-15-ène-2,6,9,12-tétrone [French] [ACD/IUPAC Name]
(4R,7R,10S,13S,15E,17R,19S)-7-(2-Hydroxy-4-oxo-1,4-dihydro-3-quinolinyl)-4-(4-hydroxyphenyl)-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone [ACD/IUPAC Name]
1-Oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone, 7-(1,4-dihydro-2-hydroxy-4-oxo-3-quinolinyl)-4-(4-hydroxyphenyl)-8,10,13,15,17,19-hexamethyl-, (4R,7R,10S,13S,15E,17R,19S)- [ACD/Index Name]
pipestelide C

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

Density: 1.2±0.1 g/cm3
Boiling Point: 953.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 145.4±3.0 kJ/mol
Flash Point: 530.3±34.3 °C
Index of Refraction: 1.545
Molar Refractivity: 176.9±0.3 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 4
ACD/LogP: 5.09
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 160.51
ACD/KOC (pH 5.5): 919.70
ACD/LogD (pH 7.4): 1.64
ACD/BCF (pH 7.4): 2.96
ACD/KOC (pH 7.4): 16.96
Polar Surface Area: 174 Å2
Polarizability: 70.1±0.5 10-24cm3
Surface Tension: 41.4±3.0 dyne/cm
Molar Volume: 559.8±3.0 cm3

Click to predict properties on the Chemicalize site


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