ChemSpider 2D Image | (4S)-4-[4-(Carboxymethyl)phenoxy]-1-(2-{5-[2-(2H-tetrazol-5-yl)phenyl]-1H-benzimidazol-1-yl}octanoyl)-L-proline | C35H37N7O6

(4S)-4-[4-(Carboxymethyl)phenoxy]-1-(2-{5-[2-(2H-tetrazol-5-yl)phenyl]-1H-benzimidazol-1-yl}octanoyl)-L-proline

  • Molecular FormulaC35H37N7O6
  • Average mass651.712 Da
  • Monoisotopic mass651.280518 Da
  • ChemSpider ID8050042

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(4S)-4-[4-(Carboxymethyl)phenoxy]-1-(2-{5-[2-(2H-tetrazol-5-yl)phenyl]-1H-benzimidazol-1-yl}octanoyl)-L-prolin [German] [ACD/IUPAC Name]
(4S)-4-[4-(Carboxymethyl)phenoxy]-1-(2-{5-[2-(2H-tetrazol-5-yl)phenyl]-1H-benzimidazol-1-yl}octanoyl)-L-proline [ACD/IUPAC Name]
(4S)-4-[4-(Carboxyméthyl)phénoxy]-1-(2-{5-[2-(2H-tétrazol-5-yl)phényl]-1H-benzimidazol-1-yl}octanoyl)-L-proline [French] [ACD/IUPAC Name]
L-Proline, 4-[4-(carboxymethyl)phenoxy]-1-[1-oxo-2-[5-[2-(2H-tetrazol-5-yl)phenyl]-1H-benzimidazol-1-yl]octyl]-, (4S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 943.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.8±3.0 kJ/mol
Flash Point: 524.4±37.1 °C
Index of Refraction: 1.696
Molar Refractivity: 177.2±0.5 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 5.25
ACD/LogD (pH 5.5): 0.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 176 Å2
Polarizability: 70.3±0.5 10-24cm3
Surface Tension: 60.3±7.0 dyne/cm
Molar Volume: 460.7±7.0 cm3

Click to predict properties on the Chemicalize site


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