ChemSpider 2D Image | (2S,3S)-2-[(Benzyloxy)methyl]-N-methoxy-N-methyl-4-oxo-1-trityl-3-azetidinecarboxamide | C33H32N2O4

(2S,3S)-2-[(Benzyloxy)methyl]-N-methoxy-N-methyl-4-oxo-1-trityl-3-azetidinecarboxamide

  • Molecular FormulaC33H32N2O4
  • Average mass520.618 Da
  • Monoisotopic mass520.236206 Da
  • ChemSpider ID30660124

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3S)-2-[(Benzyloxy)methyl]-N-methoxy-N-methyl-4-oxo-1-trityl-3-azetidincarboxamid [German] [ACD/IUPAC Name]
(2S,3S)-2-[(Benzyloxy)methyl]-N-methoxy-N-methyl-4-oxo-1-trityl-3-azetidinecarboxamide [ACD/IUPAC Name]
(2S,3S)-2-[(Benzyloxy)méthyl]-N-méthoxy-N-méthyl-4-oxo-1-trityl-3-azétidinecarboxamide [French] [ACD/IUPAC Name]
3-Azetidinecarboxamide, N-methoxy-N-methyl-2-oxo-4-[(phenylmethoxy)methyl]-1-(triphenylmethyl)-, (3S,4S)- [ACD/Index 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: 680.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.8±3.0 kJ/mol
Flash Point: 365.1±34.3 °C
Index of Refraction: 1.615
Molar Refractivity: 149.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.47
ACD/LogD (pH 5.5): 6.22
ACD/BCF (pH 5.5): 31212.98
ACD/KOC (pH 5.5): 57362.66
ACD/LogD (pH 7.4): 6.22
ACD/BCF (pH 7.4): 31209.99
ACD/KOC (pH 7.4): 57357.19
Polar Surface Area: 59 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 51.6±3.0 dyne/cm
Molar Volume: 429.9±3.0 cm3

Click to predict properties on the Chemicalize site


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