ChemSpider 2D Image | Methyl (5R)-5-[(4-biphenylyloxy)methoxy]-3-hydroxy-2-[(1S)-1-(3-nitrophenyl)propyl]-5-(2-phenylethyl)octanoate | C39H45NO7

Methyl (5R)-5-[(4-biphenylyloxy)methoxy]-3-hydroxy-2-[(1S)-1-(3-nitrophenyl)propyl]-5-(2-phenylethyl)octanoate

  • Molecular FormulaC39H45NO7
  • Average mass639.777 Da
  • Monoisotopic mass639.319580 Da
  • ChemSpider ID9017109

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(5R)-5-[(4-Biphénylyloxy)méthoxy]-3-hydroxy-2-[(1S)-1-(3-nitrophényl)propyl]-5-(2-phényléthyl)octanoate de méthyle [French] [ACD/IUPAC Name]
Benzeneheptanoic acid, δ-[([1,1'-biphenyl]-4-yloxy)methoxy]-β-hydroxy-α-[(1S)-1-(3-nitrophenyl)propyl]-δ-propyl-, methyl ester, (δR)- [ACD/Index Name]
Methyl (5R)-5-[(4-biphenylyloxy)methoxy]-3-hydroxy-2-[(1S)-1-(3-nitrophenyl)propyl]-5-(2-phenylethyl)octanoate [ACD/IUPAC Name]
Methyl-(5R)-5-[(4-biphenylyloxy)methoxy]-3-hydroxy-2-[(1S)-1-(3-nitrophenyl)propyl]-5-(2-phenylethyl)octanoat [German] [ACD/IUPAC 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: 757.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.7±3.0 kJ/mol
Flash Point: 411.6±32.9 °C
Index of Refraction: 1.577
Molar Refractivity: 182.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 9.50
ACD/LogD (pH 5.5): 8.69
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1265763.63
ACD/LogD (pH 7.4): 8.69
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1265763.63
Polar Surface Area: 111 Å2
Polarizability: 72.5±0.5 10-24cm3
Surface Tension: 46.8±3.0 dyne/cm
Molar Volume: 552.0±3.0 cm3

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