ChemSpider 2D Image | Methyl [(4S)-4-[(3R)-1-{[(1S,3R,4S)-3-amino-4-hydroxycyclopentyl]carbonyl}-3-piperidinyl]-4-(6-chloro-3'-methyl-2-biphenylyl)-4-hydroxybutyl]carbamate | C30H40ClN3O5

Methyl [(4S)-4-[(3R)-1-{[(1S,3R,4S)-3-amino-4-hydroxycyclopentyl]carbonyl}-3-piperidinyl]-4-(6-chloro-3'-methyl-2-biphenylyl)-4-hydroxybutyl]carbamate

  • Molecular FormulaC30H40ClN3O5
  • Average mass558.109 Da
  • Monoisotopic mass557.265625 Da
  • ChemSpider ID26611914

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

[(4S)-4-[(3R)-1-{[(1S,3R,4S)-3-Amino-4-hydroxycyclopentyl]carbonyl}-3-pipéridinyl]-4-(6-chloro-3'-méthyl-2-biphénylyl)-4-hydroxybutyl]carbamate de méthyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(4S)-4-[(3R)-1-[[(1S,3R,4S)-3-amino-4-hydroxycyclopentyl]carbonyl]-3-piperidinyl]-4-(6-chloro-3'-methyl[1,1'-biphenyl]-2-yl)-4-hydroxybutyl]-, methyl ester [ACD/Index Name]
Methyl [(4S)-4-[(3R)-1-{[(1S,3R,4S)-3-amino-4-hydroxycyclopentyl]carbonyl}-3-piperidinyl]-4-(6-chloro-3'-methyl-2-biphenylyl)-4-hydroxybutyl]carbamate [ACD/IUPAC Name]
Methyl-[(4S)-4-[(3R)-1-{[(1S,3R,4S)-3-amino-4-hydroxycyclopentyl]carbonyl}-3-piperidinyl]-4-(6-chlor-3'-methyl-2-biphenylyl)-4-hydroxybutyl]carbamat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 768.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.4±3.0 kJ/mol
Flash Point: 418.6±32.9 °C
Index of Refraction: 1.595
Molar Refractivity: 150.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.83
ACD/LogD (pH 5.5): -0.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.24
Polar Surface Area: 125 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 55.7±3.0 dyne/cm
Molar Volume: 443.1±3.0 cm3

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