ChemSpider 2D Image | (1Z,2S,3aS,7aS)-2-Carboxy-1-{[(1R,2R,3S,4R)-4-(2-ethoxy-2-oxoethyl)-3-nitro-2-phenylcyclopentyl]methylene}octahydro-1H-indolium | C25H33N2O6

(1Z,2S,3aS,7aS)-2-Carboxy-1-{[(1R,2R,3S,4R)-4-(2-ethoxy-2-oxoethyl)-3-nitro-2-phenylcyclopentyl]methylene}octahydro-1H-indolium

  • Molecular FormulaC25H33N2O6
  • Average mass457.539 Da
  • Monoisotopic mass457.233307 Da
  • ChemSpider ID77419164

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1Z,2S,3aS,7aS)-2-Carboxy-1-{[(1R,2R,3S,4R)-4-(2-ethoxy-2-oxoethyl)-3-nitro-2-phenylcyclopentyl]methylen}octahydro-1H-indolium [German] [ACD/IUPAC Name]
(1Z,2S,3aS,7aS)-2-Carboxy-1-{[(1R,2R,3S,4R)-4-(2-ethoxy-2-oxoethyl)-3-nitro-2-phenylcyclopentyl]methylene}octahydro-1H-indolium [ACD/IUPAC Name]
(1Z,2S,3aS,7aS)-2-Carboxy-1-{[(1R,2R,3S,4R)-4-(2-éthoxy-2-oxoéthyl)-3-nitro-2-phénylcyclopentyl]méthylène}octahydro-1H-indolium [French] [ACD/IUPAC Name]
1H-Indolium, 2-carboxy-1-[[(1R,2R,3S,4R)-4-(2-ethoxy-2-oxoethyl)-3-nitro-2-phenylcyclopentyl]methylene]octahydro-, (1Z,2S,3aS,7aS)- [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: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 112 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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