Found 23 results

Search term: MF = 'C_{36}H_{39}NO_{3}'
ChemSpider 2D Image | (2S,3S,4R,5S)-2-Allyl-1-benzyl-3,4-bis(benzyloxy)-5-[(benzyloxy)methyl]pyrrolidine | C36H39NO3

(2S,3S,4R,5S)-2-Allyl-1-benzyl-3,4-bis(benzyloxy)-5-[(benzyloxy)methyl]pyrrolidine

  • Molecular FormulaC36H39NO3
  • Average mass533.700 Da
  • Monoisotopic mass533.292969 Da
  • ChemSpider ID9343689

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,3S,4R,5S)-2-Allyl-1-benzyl-3,4-bis(benzyloxy)-5-[(benzyloxy)methyl]pyrrolidin [German] [ACD/IUPAC Name]
(2S,3S,4R,5S)-2-Allyl-1-benzyl-3,4-bis(benzyloxy)-5-[(benzyloxy)methyl]pyrrolidine [ACD/IUPAC Name]
(2S,3S,4R,5S)-2-Allyl-1-benzyl-3,4-bis(benzyloxy)-5-[(benzyloxy)méthyl]pyrrolidine [French] [ACD/IUPAC Name]
Pyrrolidine, 3,4-bis(phenylmethoxy)-2-[(phenylmethoxy)methyl]-1-(phenylmethyl)-5-(2-propen-1-yl)-, (2S,3R,4S,5S)- [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: 620.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.0±3.0 kJ/mol
Flash Point: 154.2±28.7 °C
Index of Refraction: 1.617
Molar Refractivity: 163.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 8.68
ACD/LogD (pH 5.5): 6.95
ACD/BCF (pH 5.5): 69476.80
ACD/KOC (pH 5.5): 57833.11
ACD/LogD (pH 7.4): 7.78
ACD/BCF (pH 7.4): 469138.81
ACD/KOC (pH 7.4): 390515.34
Polar Surface Area: 31 Å2
Polarizability: 64.7±0.5 10-24cm3
Surface Tension: 50.8±5.0 dyne/cm
Molar Volume: 466.4±5.0 cm3

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