ChemSpider 2D Image | (2R,3R)-2-(Carboxymethoxy)-4-{[5-(2-naphthyl)pentyl]amino}-3-{[5-(2-naphthyl)pentyl]oxy}-4-oxobutanoic acid | C36H41NO7

(2R,3R)-2-(Carboxymethoxy)-4-{[5-(2-naphthyl)pentyl]amino}-3-{[5-(2-naphthyl)pentyl]oxy}-4-oxobutanoic acid

  • Molecular FormulaC36H41NO7
  • Average mass599.713 Da
  • Monoisotopic mass599.288330 Da
  • ChemSpider ID26326520

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3R)-2-(Carboxymethoxy)-4-{[5-(2-naphthyl)pentyl]amino}-3-{[5-(2-naphthyl)pentyl]oxy}-4-oxobutanoic acid [ACD/IUPAC Name]
(2R,3R)-2-(Carboxymethoxy)-4-{[5-(2-naphthyl)pentyl]amino}-3-{[5-(2-naphthyl)pentyl]oxy}-4-oxobutansäure [German] [ACD/IUPAC Name]
(2r,3r)-2-(Carboxymethoxy)-4-{[5-(Naphthalen-2-Yl)pentyl]amino}-3-{[5-(Naphthalen-2-Yl)pentyl]oxy}-4-Oxobutanoic Acid
Acide (2R,3R)-2-(carboxyméthoxy)-4-{[5-(2-naphtyl)pentyl]amino}-3-{[5-(2-naphtyl)pentyl]oxy}-4-oxobutanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 2-(carboxymethoxy)-4-[[5-(2-naphthalenyl)pentyl]amino]-3-[[5-(2-naphthalenyl)pentyl]oxy]-4-oxo-, (2R,3R)- [ACD/Index Name]
D61

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

Density: 1.2±0.1 g/cm3
Boiling Point: 867.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.1±3.0 kJ/mol
Flash Point: 478.7±34.3 °C
Index of Refraction: 1.613
Molar Refractivity: 171.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 8.70
ACD/LogD (pH 5.5): 2.76
ACD/BCF (pH 5.5): 6.26
ACD/KOC (pH 5.5): 7.05
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 3.13
ACD/KOC (pH 7.4): 3.52
Polar Surface Area: 122 Å2
Polarizability: 67.8±0.5 10-24cm3
Surface Tension: 54.1±3.0 dyne/cm
Molar Volume: 490.9±3.0 cm3

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