ChemSpider 2D Image | Methyl (4Z,7S,10S,13S)-10-isobutyl-13-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-9,12-dioxo-2-oxa-8,11-diazabicyclo[13.2.2]nonadeca-1(17),4,15,18-tetraene-7-carboxylate | C27H39N3O7

Methyl (4Z,7S,10S,13S)-10-isobutyl-13-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-9,12-dioxo-2-oxa-8,11-diazabicyclo[13.2.2]nonadeca-1(17),4,15,18-tetraene-7-carboxylate

  • Molecular FormulaC27H39N3O7
  • Average mass517.615 Da
  • Monoisotopic mass517.278809 Da
  • ChemSpider ID30658955

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4Z,7S,10S,13S)-10-Isobutyl-13-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-9,12-dioxo-2-oxa-8,11-diazabicyclo[13.2.2]nonadéca-1(17),4,15,18-tétraène-7-carboxylate de méthyle [French] [ACD/IUPAC Name]
2-Oxa-8,11-diazabicyclo[13.2.2]nonadeca-4,15,17,18-tetraene-7-carboxylic acid, 13-[[(1,1-dimethylethoxy)carbonyl]amino]-10-(2-methylpropyl)-9,12-dioxo-, methyl ester, (4Z,7S,10S,13S)- [ACD/Index Name]
Methyl (4Z,7S,10S,13S)-10-isobutyl-13-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-9,12-dioxo-2-oxa-8,11-diazabicyclo[13.2.2]nonadeca-1(17),4,15,18-tetraene-7-carboxylate [ACD/IUPAC Name]
Methyl-(4Z,7S,10S,13S)-10-isobutyl-13-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-9,12-dioxo-2-oxa-8,11-diazabicyclo[13.2.2]nonadeca-1(17),4,15,18-tetraen-7-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 734.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.2±3.0 kJ/mol
Flash Point: 398.2±32.9 °C
Index of Refraction: 1.546
Molar Refractivity: 138.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.99
ACD/LogD (pH 5.5): 2.59
ACD/BCF (pH 5.5): 54.36
ACD/KOC (pH 5.5): 607.72
ACD/LogD (pH 7.4): 2.59
ACD/BCF (pH 7.4): 54.34
ACD/KOC (pH 7.4): 607.56
Polar Surface Area: 132 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 48.8±5.0 dyne/cm
Molar Volume: 437.3±5.0 cm3

Click to predict properties on the Chemicalize site


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