Found 13 results

Search term: MF = 'C_{37}H_{55}NO_{6}'
ChemSpider 2D Image | (2S)-1-{[(2S,3R)-3-Hydroxy-1-phenyl-5-hexen-2-yl](methyl)amino}-3-methyl-1-oxo-2-butanyl (2S,3R)-3-[(4-methoxybenzyl)oxy]-2-methyldecanoate | C37H55NO6

(2S)-1-{[(2S,3R)-3-Hydroxy-1-phenyl-5-hexen-2-yl](methyl)amino}-3-methyl-1-oxo-2-butanyl (2S,3R)-3-[(4-methoxybenzyl)oxy]-2-methyldecanoate

  • Molecular FormulaC37H55NO6
  • Average mass609.836 Da
  • Monoisotopic mass609.402954 Da
  • ChemSpider ID8945356

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2S)-1-{[(2S,3R)-3-Hydroxy-1-phenyl-5-hexen-2-yl](methyl)amino}-3-methyl-1-oxo-2-butanyl (2S,3R)-3-[(4-methoxybenzyl)oxy]-2-methyldecanoate [ACD/IUPAC Name]
(2S)-1-{[(2S,3R)-3-Hydroxy-1-phenyl-5-hexen-2-yl](methyl)amino}-3-methyl-1-oxo-2-butanyl-(2S,3R)-3-[(4-methoxybenzyl)oxy]-2-methyldecanoat [German] [ACD/IUPAC Name]
(2S,3R)-3-[(4-Méthoxybenzyl)oxy]-2-méthyldécanoate de (2S)-1-{[(2S,3R)-3-hydroxy-1-phényl-5-hexén-2-yl](méthyl)amino}-3-méthyl-1-oxo-2-butanyle [French] [ACD/IUPAC Name]
Decanoic acid, 3-[(4-methoxyphenyl)methoxy]-2-methyl-, (1S)-1-[[[(1S,2R)-2-hydroxy-1-(phenylmethyl)-4-penten-1-yl]methylamino]carbonyl]-2-methylpropyl ester, (2S,3R)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 701.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.9±3.0 kJ/mol
Flash Point: 378.2±32.9 °C
Index of Refraction: 1.524
Molar Refractivity: 177.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 2
ACD/LogP: 9.60
ACD/LogD (pH 5.5): 8.89
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1632500.88
ACD/LogD (pH 7.4): 8.89
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1632500.88
Polar Surface Area: 85 Å2
Polarizability: 70.2±0.5 10-24cm3
Surface Tension: 39.6±3.0 dyne/cm
Molar Volume: 579.2±3.0 cm3

Click to predict properties on the Chemicalize site


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