ChemSpider 2D Image | jaspamide E | C36H45BrN4O7

jaspamide E

  • Molecular FormulaC36H45BrN4O7
  • Average mass725.669 Da
  • Monoisotopic mass724.247131 Da
  • ChemSpider ID25034010

  • 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-Brom-1H-indol-3-yl)methyl]-10-(hydroxymethyl)-4-(4-hydroxyphenyl)-8,13,15,17,19-pentamethyl-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-Bromo-1H-indol-3-yl)methyl]-10-(hydroxymethyl)-4-(4-hydroxyphenyl)-8,13,15,17,19-pentamethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone [ACD/IUPAC Name]
(4R,7R,10S,13S,15E,17R,19S)-7-[(2-Bromo-1H-indol-3-yl)méthyl]-10-(hydroxyméthyl)-4-(4-hydroxyphényl)-8,13,15,17,19-pentaméthyl-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, 7-[(2-bromo-1H-indol-3-yl)methyl]-10-(hydroxymethyl)-4-(4-hydroxyphenyl)-8,13,15,17,19-pentamethyl-, (4R,7R,10S,13S,15E,17R,19S)- [ACD/Index Name]
jaspamide E
  • Miscellaneous

    • Chemical Class:

      A cyclodepsipeptide isolated from <ital>Jaspis splendens</ital>. A derivative of jaspamide, it exhibits anti-tumour activity. ChEBI CHEBI:66108
      A cyclodepsipeptide isolated from Jaspis splendens. A derivative of jaspamide, it exhibits anti-tumour activity. ChEBI CHEBI:66108

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1007.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 154.0±3.0 kJ/mol
Flash Point: 562.9±34.3 °C
Index of Refraction: 1.560
Molar Refractivity: 186.4±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 3.19
ACD/LogD (pH 5.5): 3.68
ACD/BCF (pH 5.5): 371.76
ACD/KOC (pH 5.5): 2405.01
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 370.01
ACD/KOC (pH 7.4): 2393.65
Polar Surface Area: 161 Å2
Polarizability: 73.9±0.5 10-24cm3
Surface Tension: 42.8±3.0 dyne/cm
Molar Volume: 576.6±3.0 cm3

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