ChemSpider 2D Image | (2R,2'R)-2,2'-{[2-(Benzyloxy)-1,3-propanediyl]di(2S)-2,1-pyrrolidinediyl}bis(2-phenylethanol) | C34H44N2O3

(2R,2'R)-2,2'-{[2-(Benzyloxy)-1,3-propanediyl]di(2S)-2,1-pyrrolidinediyl}bis(2-phenylethanol)

  • Molecular FormulaC34H44N2O3
  • Average mass528.725 Da
  • Monoisotopic mass528.335205 Da
  • ChemSpider ID30658813

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R,2'R)-2,2'-{[2-(Benzyloxy)-1,3-propandiyl]di(2S)-2,1-pyrrolidindiyl}bis(2-phenylethanol) [German] [ACD/IUPAC Name]
(2R,2'R)-2,2'-{[2-(Benzyloxy)-1,3-propanediyl]di(2S)-2,1-pyrrolidinediyl}bis(2-phenylethanol) [ACD/IUPAC Name]
(2R,2'R)-2,2'-{[2-(Benzyloxy)-1,3-propanediyl]di(2S)-2,1-pyrrolidinediyl}bis(2-phényléthanol) [French] [ACD/IUPAC Name]
1-Pyrrolidineethanol, 2,2'-[2-(phenylmethoxy)-1,3-propanediyl]bis[β-phenyl-, (βR,2S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 653.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.2±3.0 kJ/mol
Flash Point: 349.3±30.1 °C
Index of Refraction: 1.601
Molar Refractivity: 157.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 5.63
ACD/LogD (pH 5.5): 1.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.13
ACD/LogD (pH 7.4): 2.40
ACD/BCF (pH 7.4): 8.92
ACD/KOC (pH 7.4): 28.72
Polar Surface Area: 56 Å2
Polarizability: 62.4±0.5 10-24cm3
Surface Tension: 51.3±3.0 dyne/cm
Molar Volume: 459.7±3.0 cm3

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