ChemSpider 2D Image | 4-[4-(2-Hydroxyethoxy)benzyl]-3-(methoxymethyl)-6,11-bis[2-oxo-2-(1-pyrrolidinyl)ethyl]-2-phenyl-1-oxa-4-azacyclododec-8-ene-5,12-dione | C39H51N3O8

4-[4-(2-Hydroxyethoxy)benzyl]-3-(methoxymethyl)-6,11-bis[2-oxo-2-(1-pyrrolidinyl)ethyl]-2-phenyl-1-oxa-4-azacyclododec-8-ene-5,12-dione

  • Molecular FormulaC39H51N3O8
  • Average mass689.838 Da
  • Monoisotopic mass689.367615 Da
  • ChemSpider ID5046235

More details:

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

1-Oxa-4-azacyclododec-8-ene-5,12-dione, 4-[[4-(2-hydroxyethoxy)phenyl]methyl]-3-(methoxymethyl)-6,11-bis[2-oxo-2-(1-pyrrolidinyl)ethyl]-2-phenyl- [ACD/Index Name]
4-[4-(2-Hydroxyethoxy)benzyl]-3-(methoxymethyl)-6,11-bis[2-oxo-2-(1-pyrrolidinyl)ethyl]-2-phenyl-1-oxa-4-azacyclododec-8-en-5,12-dion [German] [ACD/IUPAC Name]
4-[4-(2-Hydroxyethoxy)benzyl]-3-(methoxymethyl)-6,11-bis[2-oxo-2-(1-pyrrolidinyl)ethyl]-2-phenyl-1-oxa-4-azacyclododec-8-ene-5,12-dione [ACD/IUPAC Name]
4-[4-(2-Hydroxyéthoxy)benzyl]-3-(méthoxyméthyl)-6,11-bis[2-oxo-2-(1-pyrrolidinyl)éthyl]-2-phényl-1-oxa-4-azacyclododéc-8-ène-5,12-dione [French] [ACD/IUPAC Name]
CDH2_000244

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

CBiol_001652 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 927.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.3±3.0 kJ/mol
Flash Point: 514.8±34.3 °C
Index of Refraction: 1.559
Molar Refractivity: 187.1±0.3 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 2.42
ACD/LogD (pH 5.5): 3.34
ACD/BCF (pH 5.5): 204.85
ACD/KOC (pH 5.5): 1570.84
ACD/LogD (pH 7.4): 3.34
ACD/BCF (pH 7.4): 204.85
ACD/KOC (pH 7.4): 1570.84
Polar Surface Area: 126 Å2
Polarizability: 74.2±0.5 10-24cm3
Surface Tension: 48.0±3.0 dyne/cm
Molar Volume: 579.8±3.0 cm3

Click to predict properties on the Chemicalize site


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