ChemSpider 2D Image | (1R,2R,4aR,5S,6R,8aS)-6-Hydroxy-1-(hydroxymethyl)-1,4a-dimethyl-5-{2-oxo-2-[(2-thienylmethyl)amino]ethyl}decahydro-2-naphthalenyl cyclohexylcarbamate | C27H42N2O5S

(1R,2R,4aR,5S,6R,8aS)-6-Hydroxy-1-(hydroxymethyl)-1,4a-dimethyl-5-{2-oxo-2-[(2-thienylmethyl)amino]ethyl}decahydro-2-naphthalenyl cyclohexylcarbamate

  • Molecular FormulaC27H42N2O5S
  • Average mass506.698 Da
  • Monoisotopic mass506.281433 Da
  • ChemSpider ID10059072

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R,2R,4aR,5S,6R,8aS)-6-Hydroxy-1-(hydroxymethyl)-1,4a-dimethyl-5-{2-oxo-2-[(2-thienylmethyl)amino]ethyl}decahydro-2-naphthalenyl cyclohexylcarbamate [ACD/IUPAC Name]
(1R,2R,4aR,5S,6R,8aS)-6-Hydroxy-1-(hydroxymethyl)-1,4a-dimethyl-5-{2-oxo-2-[(2-thienylmethyl)amino]ethyl}decahydro-2-naphthalinyl-cyclohexylcarbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-cyclohexyl-, (1R,2R,4aR,5S,6R,8aS)-decahydro-6-hydroxy-1-(hydroxymethyl)-1,4a-dimethyl-5-[2-oxo-2-[(2-thienylmethyl)amino]ethyl]-2-naphthalenyl ester [ACD/Index Name]
Cyclohexylcarbamate de (1R,2R,4aR,5S,6R,8aS)-6-hydroxy-1-(hydroxyméthyl)-1,4a-diméthyl-5-{2-oxo-2-[(2-thiénylméthyl)amino]éthyl}décahydro-2-naphtalényle [French] [ACD/IUPAC Name]

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

ZINC04236608 [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: 712.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.4±3.0 kJ/mol
Flash Point: 384.9±32.9 °C
Index of Refraction: 1.582
Molar Refractivity: 137.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.24
ACD/LogD (pH 5.5): 3.41
ACD/BCF (pH 5.5): 230.24
ACD/KOC (pH 5.5): 1707.86
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 230.24
ACD/KOC (pH 7.4): 1707.84
Polar Surface Area: 136 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 55.6±5.0 dyne/cm
Molar Volume: 412.0±5.0 cm3

Click to predict properties on the Chemicalize site


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