ChemSpider 2D Image | Allyl [(3'-{4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-8-yl)methyl]-1,3-dioxan-2-yl}-3-biphenylyl)methyl]carbamate | C43H48N4O6

Allyl [(3'-{4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-8-yl)methyl]-1,3-dioxan-2-yl}-3-biphenylyl)methyl]carbamate

  • Molecular FormulaC43H48N4O6
  • Average mass716.864 Da
  • Monoisotopic mass716.357361 Da
  • ChemSpider ID3306462

More details:

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

[(3'-{4-[4-(Hydroxyméthyl)phényl]-5-méthyl-6-[(4-oxo-1-phényl-1,3,8-triazaspiro[4.5]déc-8-yl)méthyl]-1,3-dioxan-2-yl}-3-biphénylyl)méthyl]carbamate d'allyle [French] [ACD/IUPAC Name]
Allyl [(3'-{4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-8-yl)methyl]-1,3-dioxan-2-yl}-3-biphenylyl)methyl]carbamate [ACD/IUPAC Name]
Allyl-[(3'-{4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-8-yl)methyl]-1,3-dioxan-2-yl}-3-biphenylyl)methyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[[3'-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-8-yl)methyl]-1,3-dioxan-2-yl][1,1'-biphenyl]-3-yl]methyl]-, 2-propen-1-yl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 920.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 140.3±3.0 kJ/mol
Flash Point: 510.5±34.3 °C
Index of Refraction: 1.664
Molar Refractivity: 204.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 5.44
ACD/LogD (pH 5.5): 2.60
ACD/BCF (pH 5.5): 14.24
ACD/KOC (pH 5.5): 46.03
ACD/LogD (pH 7.4): 4.31
ACD/BCF (pH 7.4): 721.62
ACD/KOC (pH 7.4): 2332.50
Polar Surface Area: 113 Å2
Polarizability: 81.1±0.5 10-24cm3
Surface Tension: 65.3±5.0 dyne/cm
Molar Volume: 551.5±5.0 cm3

Click to predict properties on the Chemicalize site


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