ChemSpider 2D Image | (4aR,5S,8R,9cS)-3-Methoxy-N,N,9c-trimethyl-5-(2,5,8,11,14,17,20,23,26-nonaoxaoctacosan-28-yloxy)-4a,5,7a,8,9,9c-hexahydrophenanthro[4,5-bcd]furan-8-amine | C37H61NO12

(4aR,5S,8R,9cS)-3-Methoxy-N,N,9c-trimethyl-5-(2,5,8,11,14,17,20,23,26-nonaoxaoctacosan-28-yloxy)-4a,5,7a,8,9,9c-hexahydrophenanthro[4,5-bcd]furan-8-amine

  • Molecular FormulaC37H61NO12
  • Average mass711.880 Da
  • Monoisotopic mass711.419373 Da
  • ChemSpider ID129101140

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(4aR,5S,8R,9cS)-3-Methoxy-N,N,9c-trimethyl-5-(2,5,8,11,14,17,20,23,26-nonaoxaoctacosan-28-yloxy)-4a,5,7a,8,9,9c-hexahydrophenanthro[4,5-bcd]furan-8-amin [German] [ACD/IUPAC Name]
(4aR,5S,8R,9cS)-3-Methoxy-N,N,9c-trimethyl-5-(2,5,8,11,14,17,20,23,26-nonaoxaoctacosan-28-yloxy)-4a,5,7a,8,9,9c-hexahydrophenanthro[4,5-bcd]furan-8-amine [ACD/IUPAC Name]
(4aR,5S,8R,9cS)-3-Méthoxy-N,N,9c-triméthyl-5-(2,5,8,11,14,17,20,23,26-nonaoxaoctacosan-28-yloxy)-4a,5,7a,8,9,9c-hexahydrophénanthro[4,5-bcd]furan-8-amine [French] [ACD/IUPAC Name]
Phenanthro[4,5-bcd]furan-8-amine, 4a,5,7a,8,9,9c-hexahydro-3-methoxy-N,N,9c-trimethyl-5-(3,6,9,12,15,18,21,24,27-nonaoxaoctacos-1-yloxy)-, (4aR,5S,8R,9cS)- [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: 722.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.5±3.0 kJ/mol
Flash Point: 164.2±30.1 °C
Index of Refraction: 1.532
Molar Refractivity: 188.8±0.4 cm3
#H bond acceptors: 13
#H bond donors: 0
#Freely Rotating Bonds: 30
#Rule of 5 Violations: 2
ACD/LogP: -0.94
ACD/LogD (pH 5.5): -1.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.72
Polar Surface Area: 114 Å2
Polarizability: 74.8±0.5 10-24cm3
Surface Tension: 47.3±5.0 dyne/cm
Molar Volume: 609.5±5.0 cm3

Click to predict properties on the Chemicalize site


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