ChemSpider 2D Image | (+)-jasplakinolide W | C36H43BrN4O7

(+)-jasplakinolide W

  • Molecular FormulaC36H43BrN4O7
  • Average mass723.653 Da
  • Monoisotopic mass722.231506 Da
  • ChemSpider ID65322903

  • 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

(+)-jasplakinolide W
(3Z,5Z,7R,10S,13S,15Z,17R,19S)-7-[(2-Brom-1H-indol-3-yl)methyl]-4-(3,4-dihydroxyphenyl)-6,12-dihydroxy-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadeca-3,5,11,15-tetraen-2,9-dion [German] [ACD/IUPAC Name]
(3Z,5Z,7R,10S,13S,15Z,17R,19S)-7-[(2-Bromo-1H-indol-3-yl)methyl]-4-(3,4-dihydroxyphenyl)-6,12-dihydroxy-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadeca-3,5,11,15-tetraene-2,9-dione [ACD/IUPAC Name]
(3Z,5Z,7R,10S,13S,15Z,17R,19S)-7-[(2-Bromo-1H-indol-3-yl)méthyl]-4-(3,4-dihydroxyphényl)-6,12-dihydroxy-8,10,13,15,17,19-hexaméthyl-1-oxa-5,8,11-triazacyclononadéca-3,5,11,15-tétraène-2,9-dione [French] [ACD/IUPAC Name]
1-Oxa-5,8,11-triazacyclononadeca-3,5,11,15-tetraene-2,9-dione, 7-[(2-bromo-1H-indol-3-yl)methyl]-4-(3,4-dihydroxyphenyl)-6,12-dihydroxy-8,10,13,15,17,19-hexamethyl-, (3Z,5Z,7R,10S,13S,15Z,17R,19S)- [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: 950.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 145.0±3.0 kJ/mol
Flash Point: 528.9±37.1 °C
Index of Refraction: 1.628
Molar Refractivity: 184.3±0.5 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 4
ACD/LogP: 5.62
ACD/LogD (pH 5.5): 4.36
ACD/BCF (pH 5.5): 1018.48
ACD/KOC (pH 5.5): 4063.30
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 198.95
ACD/KOC (pH 7.4): 793.73
Polar Surface Area: 168 Å2
Polarizability: 73.1±0.5 10-24cm3
Surface Tension: 48.5±7.0 dyne/cm
Molar Volume: 519.1±7.0 cm3

Click to predict properties on the Chemicalize site


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