ChemSpider 2D Image | (1R,2S)-2-[(Mesitylmethyl)(2-methylbenzyl)amino]-1-phenylpropyl (4S)-2-(1-hydroxypropyl)-4-methylhexanoate | C37H51NO3

(1R,2S)-2-[(Mesitylmethyl)(2-methylbenzyl)amino]-1-phenylpropyl (4S)-2-(1-hydroxypropyl)-4-methylhexanoate

  • Molecular FormulaC37H51NO3
  • Average mass557.806 Da
  • Monoisotopic mass557.386902 Da
  • ChemSpider ID8801993

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

(1R,2S)-2-[(Mesitylmethyl)(2-methylbenzyl)amino]-1-phenylpropyl (4S)-2-(1-hydroxypropyl)-4-methylhexanoate [ACD/IUPAC Name]
(1R,2S)-2-[(Mesitylmethyl)(2-methylbenzyl)amino]-1-phenylpropyl-(4S)-2-(1-hydroxypropyl)-4-methylhexanoat [German] [ACD/IUPAC Name]
(4S)-2-(1-Hydroxypropyl)-4-méthylhexanoate de (1R,2S)-2-[(mésitylméthyl)(2-méthylbenzyl)amino]-1-phénylpropyle [French] [ACD/IUPAC Name]
Hexanoic acid, 2-(1-hydroxypropyl)-4-methyl-, (1R,2S)-2-[[(2-methylphenyl)methyl][(2,4,6-trimethylphenyl)methyl]amino]-1-phenylpropyl ester, (4S)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 662.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.3±3.0 kJ/mol
Flash Point: 354.2±31.5 °C
Index of Refraction: 1.554
Molar Refractivity: 171.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 10.37
ACD/LogD (pH 5.5): 8.25
ACD/BCF (pH 5.5): 610317.50
ACD/KOC (pH 5.5): 241845.89
ACD/LogD (pH 7.4): 9.25
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2417537.75
Polar Surface Area: 50 Å2
Polarizability: 67.9±0.5 10-24cm3
Surface Tension: 41.1±3.0 dyne/cm
Molar Volume: 533.8±3.0 cm3

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