ChemSpider 2D Image | 13-Benzyl-3-[4-(benzyloxy)benzyl]-6-{2-[2-(hydroxymethyl)-1-pyrrolidinyl]-2-oxoethyl}-1-oxa-4-azacyclotetradec-8-ene-5,14-dione | C40H48N2O6

13-Benzyl-3-[4-(benzyloxy)benzyl]-6-{2-[2-(hydroxymethyl)-1-pyrrolidinyl]-2-oxoethyl}-1-oxa-4-azacyclotetradec-8-ene-5,14-dione

  • Molecular FormulaC40H48N2O6
  • Average mass652.819 Da
  • Monoisotopic mass652.351257 Da
  • ChemSpider ID3311959

More details:

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

13-Benzyl-3-[4-(benzyloxy)benzyl]-6-{2-[2-(hydroxymethyl)-1-pyrrolidinyl]-2-oxoethyl}-1-oxa-4-azacyclotetradec-8-en-5,14-dion [German] [ACD/IUPAC Name]
13-Benzyl-3-[4-(benzyloxy)benzyl]-6-{2-[2-(hydroxymethyl)-1-pyrrolidinyl]-2-oxoethyl}-1-oxa-4-azacyclotetradec-8-ene-5,14-dione [ACD/IUPAC Name]
13-Benzyl-3-[4-(benzyloxy)benzyl]-6-{2-[2-(hydroxyméthyl)-1-pyrrolidinyl]-2-oxoéthyl}-1-oxa-4-azacyclotétradéc-8-ène-5,14-dione [French] [ACD/IUPAC Name]
1-Oxa-4-azacyclotetradec-8-ene-5,14-dione, 6-[2-[2-(hydroxymethyl)-1-pyrrolidinyl]-2-oxoethyl]-3-[[4-(phenylmethoxy)phenyl]methyl]-13-(phenylmethyl)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 885.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.9±3.0 kJ/mol
Flash Point: 489.5±34.3 °C
Index of Refraction: 1.565
Molar Refractivity: 185.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.78
ACD/LogD (pH 5.5): 5.00
ACD/BCF (pH 5.5): 3739.74
ACD/KOC (pH 5.5): 12561.29
ACD/LogD (pH 7.4): 5.00
ACD/BCF (pH 7.4): 3739.74
ACD/KOC (pH 7.4): 12561.29
Polar Surface Area: 105 Å2
Polarizability: 73.4±0.5 10-24cm3
Surface Tension: 45.8±3.0 dyne/cm
Molar Volume: 568.7±3.0 cm3

Click to predict properties on the Chemicalize site


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