ChemSpider 2D Image | 2-Methyl-2-propanyl {4-[(13S)-20-amino-4-(benzyloxy)-5-bromo-11,15-dioxo-2-oxa-10,14-diazatricyclo[16.2.2.1~3,7~]tricosa-1(20),3(23),4,6,18,21-hexaen-13-yl]butyl}carbamate | C36H45BrN4O6

2-Methyl-2-propanyl {4-[(13S)-20-amino-4-(benzyloxy)-5-bromo-11,15-dioxo-2-oxa-10,14-diazatricyclo[16.2.2.13,7]tricosa-1(20),3(23),4,6,18,21-hexaen-13-yl]butyl}carbamate

  • Molecular FormulaC36H45BrN4O6
  • Average mass709.670 Da
  • Monoisotopic mass708.252258 Da
  • ChemSpider ID10020056

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

{4-[(13S)-20-Amino-4-(benzyloxy)-5-bromo-11,15-dioxo-2-oxa-10,14-diazatricyclo[16.2.2.13,7]tricosa-1(20),3(23),4,6,18,21-hexaén-13-yl]butyl}carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl {4-[(13S)-20-amino-4-(benzyloxy)-5-bromo-11,15-dioxo-2-oxa-10,14-diazatricyclo[16.2.2.13,7]tricosa-1(20),3(23),4,6,18,21-hexaen-13-yl]butyl}carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-{4-[(13S)-20-amino-4-(benzyloxy)-5-brom-11,15-dioxo-2-oxa-10,14-diazatricyclo[16.2.2.13,7]tricosa-1(20),3(23),4,6,18,21-hexaen-13-yl]butyl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[4-[(13S)-20-amino-5-bromo-11,15-dioxo-4-(phenylmethoxy)-2-oxa-10,14-diazatricyclo[16.2.2.13,7]tricosa-3,5,7(23),18,20,21-hexaen-13-yl]butyl]-, 1,1-dimethylethyl ester [ACD/Index 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: 903.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.4±3.0 kJ/mol
Flash Point: 500.2±34.3 °C
Index of Refraction: 1.561
Molar Refractivity: 184.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 2.60
ACD/LogD (pH 5.5): 4.97
ACD/BCF (pH 5.5): 3530.28
ACD/KOC (pH 5.5): 11964.35
ACD/LogD (pH 7.4): 4.99
ACD/BCF (pH 7.4): 3622.57
ACD/KOC (pH 7.4): 12277.13
Polar Surface Area: 141 Å2
Polarizability: 73.3±0.5 10-24cm3
Surface Tension: 44.4±3.0 dyne/cm
Molar Volume: 570.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement