ChemSpider 2D Image | 2,8-Bis(1-benzyl-4-piperidinyl)-6-[5-(hydroxymethyl)-2-furyl]-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindole-1,3,7,9(2H,8H)-tetrone | C43H48N4O6

2,8-Bis(1-benzyl-4-piperidinyl)-6-[5-(hydroxymethyl)-2-furyl]-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindole-1,3,7,9(2H,8H)-tetrone

  • Molecular FormulaC43H48N4O6
  • Average mass716.864 Da
  • Monoisotopic mass716.357361 Da
  • ChemSpider ID3346414

More details:

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

2,8-Bis(1-benzyl-4-piperidinyl)-6-[5-(hydroxymethyl)-2-furyl]-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindol-1,3,7,9(2H,8H)-tetron [German] [ACD/IUPAC Name]
2,8-Bis(1-benzyl-4-piperidinyl)-6-[5-(hydroxymethyl)-2-furyl]-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindole-1,3,7,9(2H,8H)-tetrone [ACD/IUPAC Name]
2,8-Bis(1-benzyl-4-pipéridinyl)-6-[5-(hydroxyméthyl)-2-furyl]-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindole-1,3,7,9(2H,8H)-tétrone [French] [ACD/IUPAC Name]
Isoindolo[5,6-e]isoindole-1,3,7,9(2H,8H)-tetrone, 3a,4,6,6a,9a,10,10a,10b-octahydro-6-[5-(hydroxymethyl)-2-furanyl]-2,8-bis[1-(phenylmethyl)-4-piperidinyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.685
Molar Refractivity: 198.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.40
ACD/LogD (pH 5.5): -0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.65
ACD/BCF (pH 7.4): 32.81
ACD/KOC (pH 7.4): 201.58
Polar Surface Area: 115 Å2
Polarizability: 78.7±0.5 10-24cm3
Surface Tension: 71.9±5.0 dyne/cm
Molar Volume: 522.1±5.0 cm3

Click to predict properties on the Chemicalize site


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