Found 1 result

Search term: PULUMLQUYYSBOR-KEIZBESESA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4-[(1R,5S,6s)-6-({4-[3-({2-[(1S)-1-Hydroxyethyl]-1H-imidazol-1-yl}methyl)-1,2-oxazol-5-yl]phenyl}ethynyl)-3-azabicyclo[3.1.0]hex-3-yl]butanoic acid | C26H28N4O4

4-[(1R,5S,6s)-6-({4-[3-({2-[(1S)-1-Hydroxyethyl]-1H-imidazol-1-yl}methyl)-1,2-oxazol-5-yl]phenyl}ethynyl)-3-azabicyclo[3.1.0]hex-3-yl]butanoic acid

  • Molecular FormulaC26H28N4O4
  • Average mass460.525 Da
  • Monoisotopic mass460.211060 Da
  • ChemSpider ID115009295

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

3-Azabicyclo[3.1.0]hexane-3-butanoic acid, 6-[2-[4-[3-[[2-[(1S)-1-hydroxyethyl]-1H-imidazol-1-yl]methyl]-5-isoxazolyl]phenyl]ethynyl]-, (1R,5S)- [ACD/Index Name]
4-[(1R,5S,6s)-6-({4-[3-({2-[(1S)-1-Hydroxyethyl]-1H-imidazol-1-yl}methyl)-1,2-oxazol-5-yl]phenyl}ethinyl)-3-azabicyclo[3.1.0]hex-3-yl]butansäure [German] [ACD/IUPAC Name]
4-[(1R,5S,6s)-6-({4-[3-({2-[(1S)-1-Hydroxyethyl]-1H-imidazol-1-yl}methyl)-1,2-oxazol-5-yl]phenyl}ethynyl)-3-azabicyclo[3.1.0]hex-3-yl]butanoic acid [ACD/IUPAC Name]
Acide 4-[(1R,5S,6s)-6-({4-[3-({2-[(1S)-1-hydroxyéthyl]-1H-imidazol-1-yl}méthyl)-1,2-oxazol-5-yl]phényl}éthynyl)-3-azabicyclo[3.1.0]hex-3-yl]butanoïque [French] [ACD/IUPAC Name]
2427584-96-9 [RN]
4-[(1{R},5{S})-6-[2-[4-[3-[[2-[(1~{S})-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]ethynyl]-3-azabicyclo[3.1.0]hexan-3-yl]butanoic acid
4-[(1S,5R)-6-[2-[4-[3-[[2-[(1S)-1-hydroxyethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]ethynyl]-3-azabicyclo[3.1.0]hexan-3-yl]butanoic acid
TP0586532

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

Density: 1.4±0.1 g/cm3
Boiling Point: 712.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.3±3.0 kJ/mol
Flash Point: 384.5±32.9 °C
Index of Refraction: 1.681
Molar Refractivity: 127.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.34
ACD/LogD (pH 5.5): -0.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.75
Polar Surface Area: 105 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 56.0±7.0 dyne/cm
Molar Volume: 336.6±7.0 cm3

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