ChemSpider 2D Image | 2,3-Dihydroxy-3-(6-hydroxy-5-methylene-8,10-dioxo-2-oxa-7,9-diazabicyclo[4.2.2]dec-1-yl)-2-methylpropyl benzoate | C19H22N2O8

2,3-Dihydroxy-3-(6-hydroxy-5-methylene-8,10-dioxo-2-oxa-7,9-diazabicyclo[4.2.2]dec-1-yl)-2-methylpropyl benzoate

  • Molecular FormulaC19H22N2O8
  • Average mass406.387 Da
  • Monoisotopic mass406.137604 Da
  • ChemSpider ID49697264

More details:

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

2,3-Dihydroxy-3-(6-hydroxy-5-methylen-8,10-dioxo-2-oxa-7,9-diazabicyclo[4.2.2]dec-1-yl)-2-methylpropyl-benzoat [German] [ACD/IUPAC Name]
2,3-Dihydroxy-3-(6-hydroxy-5-methylene-8,10-dioxo-2-oxa-7,9-diazabicyclo[4.2.2]dec-1-yl)-2-methylpropyl benzoate [ACD/IUPAC Name]
2-Oxa-7,9-diazabicyclo[4.2.2]decane-8,10-dione, 1-[3-(benzoyloxy)-1,2-dihydroxy-2-methylpropyl]-6-hydroxy-5-methylene- [ACD/Index Name]
Benzoate de 2,3-dihydroxy-3-(6-hydroxy-5-méthylène-8,10-dioxo-2-oxa-7,9-diazabicyclo[4.2.2]déc-1-yl)-2-méthylpropyle [French] [ACD/IUPAC Name]
37134-40-0 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 788.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.3±3.0 kJ/mol
Flash Point: 430.7±32.9 °C
Index of Refraction: 1.640
Molar Refractivity: 98.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.87
ACD/LogD (pH 5.5): 1.15
ACD/BCF (pH 5.5): 4.40
ACD/KOC (pH 5.5): 100.47
ACD/LogD (pH 7.4): 1.14
ACD/BCF (pH 7.4): 4.36
ACD/KOC (pH 7.4): 99.62
Polar Surface Area: 154 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 74.8±5.0 dyne/cm
Molar Volume: 272.5±5.0 cm3

Click to predict properties on the Chemicalize site


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