ChemSpider 2D Image | (3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-(2-oxo-15-phenyl-1-oxa-3-azacyclopentadecan-3-yl)-1-phenyl-2-butanyl]carbamate | C36H50N2O7

(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-(2-oxo-15-phenyl-1-oxa-3-azacyclopentadecan-3-yl)-1-phenyl-2-butanyl]carbamate

  • Molecular FormulaC36H50N2O7
  • Average mass622.791 Da
  • Monoisotopic mass622.361816 Da
  • ChemSpider ID435127

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-(2-oxo-15-phenyl-1-oxa-3-azacyclopentadecan-3-yl)-1-phenyl-2-butanyl]carbamate [ACD/IUPAC Name]
(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl-[(2S,3R)-3-hydroxy-4-(2-oxo-15-phenyl-1-oxa-3-azacyclopentadecan-3-yl)-1-phenyl-2-butanyl]carbamat [German] [ACD/IUPAC Name]
[(2S,3R)-3-Hydroxy-4-(2-oxo-15-phényl-1-oxa-3-azacyclopentadécan-3-yl)-1-phényl-2-butanyl]carbamate de (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2R)-2-hydroxy-3-(2-oxo-15-phenyl-1-oxa-3-azacyclopentadec-3-yl)-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester [ACD/Index Name]
[(1S,2R)-1-Benzyl-2-hydroxy-3-(2-oxo-15-phenyl-1-oxa-3-aza-cyclopentadec-3-yl)-propyl]-carbamic acid, (3R,3aS,6aR)-(hexahydro-furo[2,3-b]furan-3-yl) ester
Cyclourethane 18

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

AIDS153853 [DBID]
AIDS-153853 [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: 783.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.5±3.0 kJ/mol
Flash Point: 427.5±32.9 °C
Index of Refraction: 1.585
Molar Refractivity: 172.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.80
ACD/LogD (pH 5.5): 6.91
ACD/BCF (pH 5.5): 104565.79
ACD/KOC (pH 5.5): 136287.98
ACD/LogD (pH 7.4): 6.91
ACD/BCF (pH 7.4): 104552.70
ACD/KOC (pH 7.4): 136270.94
Polar Surface Area: 107 Å2
Polarizability: 68.4±0.5 10-24cm3
Surface Tension: 54.9±5.0 dyne/cm
Molar Volume: 515.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement