ChemSpider 2D Image | (4R,7R,10S,13R,15E,17R,19S)-7-[(2-Bromo-1H-indol-3-yl)methyl]-4-(4-hydroxyphenyl)-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone | C36H45BrN4O6

(4R,7R,10S,13R,15E,17R,19S)-7-[(2-Bromo-1H-indol-3-yl)methyl]-4-(4-hydroxyphenyl)-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone

  • Molecular FormulaC36H45BrN4O6
  • Average mass709.670 Da
  • Monoisotopic mass708.252258 Da
  • ChemSpider ID4940936

  • 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,13R,15E,17R,19S)-7-[(2-Brom-1H-indol-3-yl)methyl]-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,13R,15E,17R,19S)-7-[(2-Bromo-1H-indol-3-yl)methyl]-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]
(4R,7R,10S,13R,15E,17R,19S)-7-[(2-Bromo-1H-indol-3-yl)méthyl]-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]
1-Oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone, 7-[(2-bromo-1H-indol-3-yl)methyl]-4-(4-hydroxyphenyl)-8,10,13,15,17,19-hexamethyl-, (4R,7R,10S,13R,15E,17R,19S)- [ACD/Index Name]
(4R,7R,10S,13R,17R,19S)-7-[(2-Bromo-1H-indol-3-yl)methyl]-4-(4-hydroxyphenyl)-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone
102396-24-7 [RN]
CID 6436289
Cyclo[(3R)-3-(4-hydroxyphenyl)-β-alanyl-(2S,4E,6R,8S)-8-hydroxy-2,4,6-trimethyl-4-nonenoyl-L-alanyl-2-bromo-N-methyl-D-tryptophyl]
Jaspamide
jasplakinolide
More...

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

AIDS032066 [DBID]
AIDS-032066 [DBID]
NSC 613009 [DBID]
NSC613009 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 968.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 145.9±3.0 kJ/mol
Flash Point: 539.4±34.3 °C
Index of Refraction: 1.553
Molar Refractivity: 184.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 4.24
ACD/LogD (pH 5.5): 4.49
ACD/BCF (pH 5.5): 1528.22
ACD/KOC (pH 5.5): 6619.59
ACD/LogD (pH 7.4): 4.49
ACD/BCF (pH 7.4): 1520.99
ACD/KOC (pH 7.4): 6588.28
Polar Surface Area: 141 Å2
Polarizability: 73.3±0.5 10-24cm3
Surface Tension: 40.4±3.0 dyne/cm
Molar Volume: 578.0±3.0 cm3

Click to predict properties on the Chemicalize site


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