ChemSpider 2D Image | jasplakinolide Ca | C36H45BrN4O7

jasplakinolide Ca

  • Molecular FormulaC36H45BrN4O7
  • Average mass725.669 Da
  • Monoisotopic mass724.247131 Da
  • ChemSpider ID25034640

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(4R,7R,10S,13S,16R,17R,19S)-7-[(2-Brom-1H-indol-3-yl)methyl]-16-hydroxy-4-(4-hydroxyphenyl)-8,10,13,17,19-pentamethyl-15-methylen-1-oxa-5,8,11-triazacyclononadecan-2,6,9,12-tetron [German] [ACD/IUPAC Name]
(4R,7R,10S,13S,16R,17R,19S)-7-[(2-Bromo-1H-indol-3-yl)methyl]-16-hydroxy-4-(4-hydroxyphenyl)-8,10,13,17,19-pentamethyl-15-methylene-1-oxa-5,8,11-triazacyclononadecane-2,6,9,12-tetrone [ACD/IUPAC Name]
(4R,7R,10S,13S,16R,17R,19S)-7-[(2-Bromo-1H-indol-3-yl)méthyl]-16-hydroxy-4-(4-hydroxyphényl)-8,10,13,17,19-pentaméthyl-15-méthylène-1-oxa-5,8,11-triazacyclononadécane-2,6,9,12-tétrone [French] [ACD/IUPAC Name]
1-Oxa-5,8,11-triazacyclononadecane-2,6,9,12-tetrone, 7-[(2-bromo-1H-indol-3-yl)methyl]-16-hydroxy-4-(4-hydroxyphenyl)-8,10,13,17,19-pentamethyl-15-methylene-, (4R,7R,10S,13S,16R,17R,19S)- [ACD/Index Name]
jasplakinolide Ca

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1005.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 153.7±3.0 kJ/mol
Flash Point: 561.8±34.3 °C
Index of Refraction: 1.634
Molar Refractivity: 186.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 2.63
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 214.72
ACD/KOC (pH 5.5): 1623.57
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 213.70
ACD/KOC (pH 7.4): 1615.91
Polar Surface Area: 161 Å2
Polarizability: 73.9±0.5 10-24cm3
Surface Tension: 64.0±5.0 dyne/cm
Molar Volume: 521.1±5.0 cm3

Click to predict properties on the Chemicalize site


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