ChemSpider 2D Image | 1-(2-Anilino-2-oxoethyl)-4-[(6-{(5R,6S)-2-carboxy-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl}-9-oxo-9H-fluoren-2-yl)methyl]-1,4-diazoniabicyclo[2.2.2]octane | C37H38N4O6

1-(2-Anilino-2-oxoethyl)-4-[(6-{(5R,6S)-2-carboxy-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl}-9-oxo-9H-fluoren-2-yl)methyl]-1,4-diazoniabicyclo[2.2.2]octane

  • Molecular FormulaC37H38N4O6
  • Average mass634.720 Da
  • Monoisotopic mass634.278015 Da
  • ChemSpider ID8006934

  • Charge - Charge

    defined stereocentres - 3 of 5 defined stereocentres

More details:

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

1-(2-Anilino-2-oxoethyl)-4-[(6-{(5R,6S)-2-carboxy-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl}-9-oxo-9H-fluoren-2-yl)methyl]-1,4-diazoniabicyclo[2.2.2]octan [German] [ACD/IUPAC Name]
1-(2-Anilino-2-oxoethyl)-4-[(6-{(5R,6S)-2-carboxy-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl}-9-oxo-9H-fluoren-2-yl)methyl]-1,4-diazoniabicyclo[2.2.2]octane [ACD/IUPAC Name]
1-(2-Anilino-2-oxoéthyl)-4-[(6-{(5R,6S)-2-carboxy-6-[(1R)-1-hydroxyéthyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-én-3-yl}-9-oxo-9H-fluorén-2-yl)méthyl]-1,4-diazoniabicyclo[2.2.2]octane [French] [ACD/IUPAC Name]
1,4-Diazoniabicyclo[2.2.2]octane, 1-[[6-[(5R,6S)-2-carboxy-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]-9-oxo-9H-fluoren-2-yl]methyl]-4-[2-oxo-2-(phenylamino)ethyl]- [ACD/Index Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 0.42
ACD/LogD (pH 5.5): -2.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.20
ACD/LogD (pH 7.4): -2.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.27
Polar Surface Area: 124 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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