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Search term: 8922794 (Found by CSID)
ChemSpider 2D Image | jaspamide B | C36H43BrN4O7

jaspamide B

  • Molecular FormulaC36H43BrN4O7
  • Average mass723.653 Da
  • Monoisotopic mass722.231506 Da
  • ChemSpider ID8922794

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

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

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1010.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 152.6±3.0 kJ/mol
Flash Point: 565.0±34.3 °C
Index of Refraction: 1.630
Molar Refractivity: 184.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 2.27
ACD/LogD (pH 5.5): 3.44
ACD/BCF (pH 5.5): 243.15
ACD/KOC (pH 5.5): 1775.88
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 242.00
ACD/KOC (pH 7.4): 1767.44
Polar Surface Area: 158 Å2
Polarizability: 73.3±0.5 10-24cm3
Surface Tension: 62.9±5.0 dyne/cm
Molar Volume: 520.1±5.0 cm3

Click to predict properties on the Chemicalize site


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