ChemSpider 2D Image | azumamide E | C27H38N4O6

azumamide E

  • Molecular FormulaC27H38N4O6
  • Average mass514.614 Da
  • Monoisotopic mass514.279114 Da
  • ChemSpider ID10481688

  • 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

(4Z)-6-[(2R,5R,8R,11R,12S)-8-Benzyl-2-isopropyl-5,12-dimethyl-3,6,9,13-tetraoxo-1,4,7,10-tetraazacyclotridecan-11-yl]-4-hexenoic acid [ACD/IUPAC Name]
(4Z)-6-[(2R,5R,8R,11R,12S)-8-Benzyl-2-isopropyl-5,12-dimethyl-3,6,9,13-tetraoxo-1,4,7,10-tetraazacyclotridecan-11-yl]-4-hexensäure [German] [ACD/IUPAC Name]
(4Z)-6-[(2R,5R,8R,11R,12S)-8-benzyl-5,12-dimethyl-3,6,9,13-tetraoxo-2-(propan-2-yl)-1,4,7,10-tetraazacyclotridecan-11-yl]hex-4-enoic acid
4-Hexenoic acid, 6-[(2R,5R,8R,11R,12S)-5,12-dimethyl-2-(1-methylethyl)-3,6,9,13-tetraoxo-8-(phenylmethyl)-1,4,7,10-tetraazacyclotridec-11-yl]-, (4Z)- [ACD/Index Name]
Acide (4Z)-6-[(2R,5R,8R,11R,12S)-8-benzyl-2-isopropyl-5,12-diméthyl-3,6,9,13-tétraoxo-1,4,7,10-tétraazacyclotridécan-11-yl]-4-hexénoïque [French] [ACD/IUPAC Name]
azumamide E
(Z)-6-((2R,5R,8R,11R,12S)-8-Benzyl-2-isopropyl-5,12-dimethyl-3,6,9,13-tetraoxo-1,4,7,10tetraaza-cyclotridec-11-yl)-hex-4-enoic acid
(Z)-6-[(2R,5R,12S)-8-benzyl-5,12-dimethyl-3,6,9,13-tetraoxo-2-propan-2-yl-1,4,7,10-tetrazacyclotridec-11-yl]hex-4-enoic acid
585535-37-1 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL402363/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 887.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.1±3.0 kJ/mol
Flash Point: 490.5±34.3 °C
Index of Refraction: 1.505
Molar Refractivity: 137.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 0.65
ACD/LogD (pH 5.5): -0.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.00
ACD/LogD (pH 7.4): -1.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 154 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 37.7±3.0 dyne/cm
Molar Volume: 463.0±3.0 cm3

Click to predict properties on the Chemicalize site


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