ChemSpider 2D Image | 2-(3-{(2R,4S,6R)-4-[4-(Hydroxymethyl)phenyl]-6-[(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-8-yl)methyl]-1,3-dioxan-2-yl}phenyl)-1H-isoindole-1,3(2H)-dione | C39H38N4O6

2-(3-{(2R,4S,6R)-4-[4-(Hydroxymethyl)phenyl]-6-[(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-8-yl)methyl]-1,3-dioxan-2-yl}phenyl)-1H-isoindole-1,3(2H)-dione

  • Molecular FormulaC39H38N4O6
  • Average mass658.742 Da
  • Monoisotopic mass658.279114 Da
  • ChemSpider ID5135736

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1H-Isoindole-1,3(2H)-dione, 2-[3-[(2R,4S,6R)-4-[4-(hydroxymethyl)phenyl]-6-[(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-8-yl)methyl]-1,3-dioxan-2-yl]phenyl]- [ACD/Index Name]
2-(3-{(2R,4S,6R)-4-[4-(Hydroxymethyl)phenyl]-6-[(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-8-yl)methyl]-1,3-dioxan-2-yl}phenyl)-1H-isoindol-1,3(2H)-dion [German] [ACD/IUPAC Name]
2-(3-{(2R,4S,6R)-4-[4-(Hydroxymethyl)phenyl]-6-[(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-8-yl)methyl]-1,3-dioxan-2-yl}phenyl)-1H-isoindole-1,3(2H)-dione [ACD/IUPAC Name]
2-(3-{(2R,4S,6R)-4-[4-(Hydroxyméthyl)phényl]-6-[(4-oxo-1-phényl-1,3,8-triazaspiro[4.5]déc-8-yl)méthyl]-1,3-dioxan-2-yl}phényl)-1H-isoindole-1,3(2H)-dione [French] [ACD/IUPAC Name]

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

DIOX2_022555 [DBID]

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

Density: 1.4±0.0 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.721
Molar Refractivity: 182.8±0.0 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.91
ACD/LogD (pH 5.5): 1.38
ACD/BCF (pH 5.5): 1.63
ACD/KOC (pH 5.5): 9.44
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 81.46
ACD/KOC (pH 7.4): 470.88
Polar Surface Area: 112 Å2
Polarizability: 72.5±0.0 10-24cm3
Surface Tension: 77.8±0.0 dyne/cm
Molar Volume: 462.4±0.0 cm3

Click to predict properties on the Chemicalize site


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