ChemSpider 2D Image | V-9302 | C34H38N2O4

V-9302

  • Molecular FormulaC34H38N2O4
  • Average mass538.677 Da
  • Monoisotopic mass538.283142 Da
  • ChemSpider ID58916502

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Amino-4-(bis{2-[(3-methylbenzyl)oxy]benzyl}amino)butanoic acid [ACD/IUPAC Name]
(2S)-2-Amino-4-(bis{2-[(3-methylbenzyl)oxy]benzyl}amino)butansäure [German] [ACD/IUPAC Name]
(2S)-2-amino-4-[bis({2-[(3-methylphenyl)methoxy]phenyl}methyl)amino]butanoic acid
1855871-76-9 [RN]
Acide (2S)-2-amino-4-(bis{2-[(3-méthylbenzyl)oxy]benzyl}amino)butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 2-amino-4-[bis[[2-[(3-methylphenyl)methoxy]phenyl]methyl]amino]-, (2S)- [ACD/Index Name]
V-9302
(2S)-2-amino-4-[bis[[2-[(3-methylphenyl)methoxy]phenyl]methyl]amino]butanoic acid
(2S)-2-amino-4-[bis[[2-[(3-methylphenyl)methoxy]phenyl]methyl]amino]-butanoic acid
(S)-2-amino-4-(bis(2-((3-methylbenzyl)oxy)benzyl)amino)butanoic acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 688.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.0±3.0 kJ/mol
Flash Point: 370.3±31.5 °C
Index of Refraction: 1.616
Molar Refractivity: 159.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 7.54
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 5.70
ACD/KOC (pH 5.5): 12.70
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 29.73
ACD/KOC (pH 7.4): 66.23
Polar Surface Area: 85 Å2
Polarizability: 63.3±0.5 10-24cm3
Surface Tension: 51.2±3.0 dyne/cm
Molar Volume: 456.9±3.0 cm3

Click to predict properties on the Chemicalize site


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