Found 1 result

Search term: GBAKDRIJFSDCNN (Found by InChIKey (skeleton match))
ChemSpider 2D Image | [(1S,3R,4S)-3-Amino-4-hydroxycyclopentyl]{(3R)-3-[(1S)-1-(2-biphenylyl)-1-hydroxy-5-methoxypentyl]-1-piperidinyl}methanone | C29H40N2O4

[(1S,3R,4S)-3-Amino-4-hydroxycyclopentyl]{(3R)-3-[(1S)-1-(2-biphenylyl)-1-hydroxy-5-methoxypentyl]-1-piperidinyl}methanone

  • Molecular FormulaC29H40N2O4
  • Average mass480.639 Da
  • Monoisotopic mass480.298798 Da
  • ChemSpider ID26328826

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

[(1S,3R,4S)-3-Amino-4-hydroxycyclopentyl]{(3R)-3-[(1S)-1-(2-biphenylyl)-1-hydroxy-5-methoxypentyl]-1-piperidinyl}methanon [German] [ACD/IUPAC Name]
[(1S,3R,4S)-3-Amino-4-hydroxycyclopentyl]{(3R)-3-[(1S)-1-(2-biphenylyl)-1-hydroxy-5-methoxypentyl]-1-piperidinyl}methanone [ACD/IUPAC Name]
[(1S,3R,4S)-3-Amino-4-hydroxycyclopentyl]{(3R)-3-[(1S)-1-(2-biphénylyl)-1-hydroxy-5-méthoxypentyl]-1-pipéridinyl}méthanone [French] [ACD/IUPAC Name]
[(1s,3r,4s)-3-Amino-4-Hydroxycyclopentyl]{(3r)-3-[(1s)-1-(Biphenyl-2-Yl)-1-Hydroxy-5-Methoxypentyl]piperidin-1-Yl}methanone
Methanone, [(1S,3R,4S)-3-amino-4-hydroxycyclopentyl][(3R)-3-[(1S)-1-[1,1'-biphenyl]-2-yl-1-hydroxy-5-methoxypentyl]-1-piperidinyl]- [ACD/Index Name]
RX0

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

Density: 1.2±0.1 g/cm3
Boiling Point: 697.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.2±3.0 kJ/mol
Flash Point: 375.4±31.5 °C
Index of Refraction: 1.586
Molar Refractivity: 137.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.06
ACD/LogD (pH 5.5): -0.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.15
Polar Surface Area: 96 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 408.9±3.0 cm3

Click to predict properties on the Chemicalize site


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