ChemSpider 2D Image | (1R,2R,4aR,5S,6R)-6-Hydroxy-1-(hydroxymethyl)-5-{2-[(2-methoxybenzyl)amino]-2-oxoethyl}-1,4a-dimethyldecahydro-2-naphthalenyl (3-methoxyphenyl)carbamate | C31H42N2O7

(1R,2R,4aR,5S,6R)-6-Hydroxy-1-(hydroxymethyl)-5-{2-[(2-methoxybenzyl)amino]-2-oxoethyl}-1,4a-dimethyldecahydro-2-naphthalenyl (3-methoxyphenyl)carbamate

  • Molecular FormulaC31H42N2O7
  • Average mass554.674 Da
  • Monoisotopic mass554.299194 Da
  • ChemSpider ID21388777

  • 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)-5-{2-[(2-methoxybenzyl)amino]-2-oxoethyl}-1,4a-dimethyldecahydro-2-naphthalenyl (3-methoxyphenyl)carbamate [ACD/IUPAC Name]
(1R,2R,4aR,5S,6R)-6-Hydroxy-1-(hydroxymethyl)-5-{2-[(2-methoxybenzyl)amino]-2-oxoethyl}-1,4a-dimethyldecahydro-2-naphthalinyl-(3-methoxyphenyl)carbamat [German] [ACD/IUPAC Name]
(3-Méthoxyphényl)carbamate de (1R,2R,4aR,5S,6R)-6-hydroxy-1-(hydroxyméthyl)-5-{2-[(2-méthoxybenzyl)amino]-2-oxoéthyl}-1,4a-diméthyldécahydro-2-naphtalényle [French] [ACD/IUPAC Name]
Carbamic acid, N-(3-methoxyphenyl)-, (1R,2R,4aR,5S,6R)-decahydro-6-hydroxy-1-(hydroxymethyl)-5-[2-[[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]-1,4a-dimethyl-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: 712.4±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: 384.7±32.9 °C
Index of Refraction: 1.595
Molar Refractivity: 151.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 2.99
ACD/LogD (pH 5.5): 3.60
ACD/BCF (pH 5.5): 320.93
ACD/KOC (pH 5.5): 2166.17
ACD/LogD (pH 7.4): 3.60
ACD/BCF (pH 7.4): 320.93
ACD/KOC (pH 7.4): 2166.18
Polar Surface Area: 126 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 57.1±5.0 dyne/cm
Molar Volume: 444.8±5.0 cm3

Click to predict properties on the Chemicalize site


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