ChemSpider 2D Image | (1R,2R,4aR,5S,6R)-6-Hydroxy-1-(hydroxymethyl)-1,4a-dimethyl-5-[2-oxo-2-(1-pyrrolidinyl)ethyl]decahydro-2-naphthalenyl (3-methoxyphenyl)carbamate | C27H40N2O6

(1R,2R,4aR,5S,6R)-6-Hydroxy-1-(hydroxymethyl)-1,4a-dimethyl-5-[2-oxo-2-(1-pyrrolidinyl)ethyl]decahydro-2-naphthalenyl (3-methoxyphenyl)carbamate

  • Molecular FormulaC27H40N2O6
  • Average mass488.616 Da
  • Monoisotopic mass488.288635 Da
  • ChemSpider ID21388772

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(1R,2R,4aR,5S,6R)-6-Hydroxy-1-(hydroxymethyl)-1,4a-dimethyl-5-[2-oxo-2-(1-pyrrolidinyl)ethyl]decahydro-2-naphthalenyl (3-methoxyphenyl)carbamate [ACD/IUPAC Name]
(1R,2R,4aR,5S,6R)-6-Hydroxy-1-(hydroxymethyl)-1,4a-dimethyl-5-[2-oxo-2-(1-pyrrolidinyl)ethyl]decahydro-2-naphthalinyl-(3-methoxyphenyl)carbamat [German] [ACD/IUPAC Name]
(3-Méthoxyphényl)carbamate de (1R,2R,4aR,5S,6R)-6-hydroxy-1-(hydroxyméthyl)-1,4a-diméthyl-5-[2-oxo-2-(1-pyrrolidinyl)éthyl]décahydro-2-naphtalényle [French] [ACD/IUPAC Name]
Carbamic acid, N-(3-methoxyphenyl)-, (1R,2R,4aR,5S,6R)-decahydro-6-hydroxy-1-(hydroxymethyl)-1,4a-dimethyl-5-[2-oxo-2-(1-pyrrolidinyl)ethyl]-2-naphthalenyl 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: 631.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 98.2±3.0 kJ/mol
Flash Point: 335.8±31.5 °C
Index of Refraction: 1.587
Molar Refractivity: 132.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.50
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 71.53
ACD/KOC (pH 5.5): 739.70
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 71.53
ACD/KOC (pH 7.4): 739.71
Polar Surface Area: 108 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 56.7±5.0 dyne/cm
Molar Volume: 393.2±5.0 cm3

Click to predict properties on the Chemicalize site


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