ChemSpider 2D Image | Ethyl 15-(cyclopropylmethyl)-20-methoxy-4,12-dioxo-8-(tetrahydro-2H-pyran-4-ylcarbonyl)-2-oxa-5,8,13-triazabicyclo[15.3.1]henicosa-1(21),17,19-triene-15-carboxylate | C31H45N3O8

Ethyl 15-(cyclopropylmethyl)-20-methoxy-4,12-dioxo-8-(tetrahydro-2H-pyran-4-ylcarbonyl)-2-oxa-5,8,13-triazabicyclo[15.3.1]henicosa-1(21),17,19-triene-15-carboxylate

  • Molecular FormulaC31H45N3O8
  • Average mass587.704 Da
  • Monoisotopic mass587.320679 Da
  • ChemSpider ID76829235

More details:

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

15-(Cyclopropylméthyl)-20-méthoxy-4,12-dioxo-8-(tétrahydro-2H-pyran-4-ylcarbonyl)-2-oxa-5,8,13-triazabicyclo[15.3.1]hénicosa-1(21),17,19-triène-15-carboxylate d'éthyle [French] [ACD/IUPAC Name]
2-Oxa-5,8,13-triazabicyclo[15.3.1]heneicosa-1(21),17,19-triene-15-carboxylic acid, 15-(cyclopropylmethyl)-20-methoxy-4,12-dioxo-8-[(tetrahydro-2H-pyran-4-yl)carbonyl]-, ethyl ester [ACD/Index Name]
Ethyl 15-(cyclopropylmethyl)-20-methoxy-4,12-dioxo-8-(tetrahydro-2H-pyran-4-ylcarbonyl)-2-oxa-5,8,13-triazabicyclo[15.3.1]henicosa-1(21),17,19-triene-15-carboxylate [ACD/IUPAC Name]
Ethyl-15-(cyclopropylmethyl)-20-methoxy-4,12-dioxo-8-(tetrahydro-2H-pyran-4-ylcarbonyl)-2-oxa-5,8,13-triazabicyclo[15.3.1]henicosa-1(21),17,19-trien-15-carboxylat [German] [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: 828.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.4±3.0 kJ/mol
Flash Point: 455.1±34.3 °C
Index of Refraction: 1.517
Molar Refractivity: 153.4±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 0.53
ACD/LogD (pH 5.5): 1.45
ACD/BCF (pH 5.5): 7.44
ACD/KOC (pH 5.5): 146.43
ACD/LogD (pH 7.4): 1.45
ACD/BCF (pH 7.4): 7.44
ACD/KOC (pH 7.4): 146.43
Polar Surface Area: 133 Å2
Polarizability: 60.8±0.5 10-24cm3
Surface Tension: 42.1±3.0 dyne/cm
Molar Volume: 506.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement