ChemSpider 2D Image | [(3S,4S)-4-({Isopropyl[4-methoxy-3-(3-methoxypropoxy)benzoyl]amino}methyl)-3-pyrrolidinyl]methyl benzylcarbamate | C29H41N3O6

[(3S,4S)-4-({Isopropyl[4-methoxy-3-(3-methoxypropoxy)benzoyl]amino}methyl)-3-pyrrolidinyl]methyl benzylcarbamate

  • Molecular FormulaC29H41N3O6
  • Average mass527.652 Da
  • Monoisotopic mass527.299561 Da
  • ChemSpider ID10026103

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(3S,4S)-4-({Isopropyl[4-methoxy-3-(3-methoxypropoxy)benzoyl]amino}methyl)-3-pyrrolidinyl]methyl benzylcarbamate [ACD/IUPAC Name]
[(3S,4S)-4-({Isopropyl[4-methoxy-3-(3-methoxypropoxy)benzoyl]amino}methyl)-3-pyrrolidinyl]methyl-benzylcarbamat [German] [ACD/IUPAC Name]
Benzylcarbamate de [(3S,4S)-4-({isopropyl[4-méthoxy-3-(3-méthoxypropoxy)benzoyl]amino}méthyl)-3-pyrrolidinyl]méthyle [French] [ACD/IUPAC Name]
Carbamic acid, N-(phenylmethyl)-, [(3S,4S)-4-[[[4-methoxy-3-(3-methoxypropoxy)benzoyl](1-methylethyl)amino]methyl]-3-pyrrolidinyl]methyl ester [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: 693.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.6±3.0 kJ/mol
Flash Point: 373.3±31.5 °C
Index of Refraction: 1.536
Molar Refractivity: 146.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.40
ACD/LogD (pH 7.4): 1.37
ACD/BCF (pH 7.4): 2.22
ACD/KOC (pH 7.4): 17.31
Polar Surface Area: 98 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 42.7±3.0 dyne/cm
Molar Volume: 469.9±3.0 cm3

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