ChemSpider 2D Image | (1S)-1-Phenylethyl 2'-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1,1'-binaphthalene-2-carboxylate | C34H31NO4

(1S)-1-Phenylethyl 2'-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1,1'-binaphthalene-2-carboxylate

  • Molecular FormulaC34H31NO4
  • Average mass517.614 Da
  • Monoisotopic mass517.225281 Da
  • ChemSpider ID30659288

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1S)-1-Phenylethyl 2'-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1,1'-binaphthalene-2-carboxylate [ACD/IUPAC Name]
(1S)-1-Phenylethyl-2'-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1,1'-binaphthalin-2-carboxylat [German] [ACD/IUPAC Name]
[1,1'-Binaphthalene]-2-carboxylic acid, 2'-[[(1,1-dimethylethoxy)carbonyl]amino]-, (1S)-1-phenylethyl ester [ACD/Index Name]
2'-({[(2-Méthyl-2-propanyl)oxy]carbonyl}amino)-1,1'-binaphtalène-2-carboxylate de (1S)-1-phényléthyle [French] [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: 628.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.0±3.0 kJ/mol
Flash Point: 334.1±31.5 °C
Index of Refraction: 1.657
Molar Refractivity: 157.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 9.01
ACD/LogD (pH 5.5): 8.53
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1040241.56
ACD/LogD (pH 7.4): 8.53
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1040240.38
Polar Surface Area: 65 Å2
Polarizability: 62.4±0.5 10-24cm3
Surface Tension: 50.7±3.0 dyne/cm
Molar Volume: 427.8±3.0 cm3

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