ChemSpider 2D Image | (7S,10S,13S)-10-Butyl-7-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-8,11-dioxo-2-oxa-9,12-diazabicyclo[13.2.2]nonadeca-1(17),15,18-triene-13-carboxylic acid | C26H39N3O7

(7S,10S,13S)-10-Butyl-7-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-8,11-dioxo-2-oxa-9,12-diazabicyclo[13.2.2]nonadeca-1(17),15,18-triene-13-carboxylic acid

  • Molecular FormulaC26H39N3O7
  • Average mass505.604 Da
  • Monoisotopic mass505.278809 Da
  • ChemSpider ID9905578

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(7S,10S,13S)-10-Butyl-7-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-8,11-dioxo-2-oxa-9,12-diazabicyclo[13.2.2]nonadeca-1(17),15,18-trien-13-carbonsäure [German] [ACD/IUPAC Name]
(7S,10S,13S)-10-Butyl-7-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-8,11-dioxo-2-oxa-9,12-diazabicyclo[13.2.2]nonadeca-1(17),15,18-triene-13-carboxylic acid [ACD/IUPAC Name]
2-Oxa-9,12-diazabicyclo[13.2.2]nonadeca-15,17,18-triene-13-carboxylic acid, 10-butyl-7-[[(1,1-dimethylethoxy)carbonyl]amino]-8,11-dioxo-, (7S,10S,13S)- [ACD/Index Name]
Acide (7S,10S,13S)-10-butyl-7-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-8,11-dioxo-2-oxa-9,12-diazabicyclo[13.2.2]nonadéca-1(17),15,18-triène-13-carboxylique [French] [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: 783.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.5±3.0 kJ/mol
Flash Point: 427.3±32.9 °C
Index of Refraction: 1.552
Molar Refractivity: 133.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 3.03
ACD/LogD (pH 5.5): 0.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.20
ACD/LogD (pH 7.4): -1.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 143 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 52.6±5.0 dyne/cm
Molar Volume: 418.6±5.0 cm3

Click to predict properties on the Chemicalize site


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