ChemSpider 2D Image | N-{[(1R,2S,6R,7S)-3,5-Dioxo-4,10-dioxatricyclo[5.2.1.0~2,6~]dec-1-yl]methyl}-1-adamantanecarboxamide | C20H25NO5

N-{[(1R,2S,6R,7S)-3,5-Dioxo-4,10-dioxatricyclo[5.2.1.02,6]dec-1-yl]methyl}-1-adamantanecarboxamide

  • Molecular FormulaC20H25NO5
  • Average mass359.416 Da
  • Monoisotopic mass359.173279 Da
  • ChemSpider ID32841839

  • defined stereocentres - 4 of 8 defined stereocentres

More details:

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

N-{[(1R,2S,6R,7S)-3,5-Dioxo-4,10-dioxatricyclo[5.2.1.02,6]dec-1-yl]methyl}-1-adamantancarboxamid [German] [ACD/IUPAC Name]
N-{[(1R,2S,6R,7S)-3,5-Dioxo-4,10-dioxatricyclo[5.2.1.02,6]dec-1-yl]methyl}-1-adamantanecarboxamide [ACD/IUPAC Name]
N-{[(1R,2S,6R,7S)-3,5-Dioxo-4,10-dioxatricyclo[5.2.1.02,6]déc-1-yl]méthyl}-1-adamantanecarboxamide [French] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decane-1-carboxamide, N-[[(3aS,4R,7S,7aR)-hexahydro-1,3-dioxo-4,7-epoxyisobenzofuran-4(1H)-yl]methyl]- [ACD/Index Name]
1418113-86-6 [RN]
exo-cis-(±)-1-(1-Carboxyamido-adamantyl-methyl)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic anhydride
exo-cis-(±)-1-(1-Carboxyamido-adamantyl-methyl)-7-oxabicyclo[2.2.1]-heptane-2,3-dicarboxylic anhydride
MFCD27986766
N-{[(1R,2S,6R,7S)-3,5-dioxo-4,10-dioxatricyclo[5.2.1.02,6]decan-1-yl]methyl}adamantane-1-carboxamide
TS-7227

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

Density: 1.4±0.1 g/cm3
Boiling Point: 614.2±48.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.1±3.0 kJ/mol
Flash Point: 325.3±29.6 °C
Index of Refraction: 1.604
Molar Refractivity: 89.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.11
ACD/LogD (pH 5.5): 1.30
ACD/BCF (pH 5.5): 5.72
ACD/KOC (pH 5.5): 121.34
ACD/LogD (pH 7.4): 1.30
ACD/BCF (pH 7.4): 5.72
ACD/KOC (pH 7.4): 121.34
Polar Surface Area: 82 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 58.9±3.0 dyne/cm
Molar Volume: 259.6±3.0 cm3

Click to predict properties on the Chemicalize site


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