ChemSpider 2D Image | 13-Benzyl 9-(2-methyl-2-propanyl) (5R)-1-oxo-2,9,13-triazadispiro[4.0.5.3]tetradecane-9,13-dicarboxylate | C24H33N3O5

13-Benzyl 9-(2-methyl-2-propanyl) (5R)-1-oxo-2,9,13-triazadispiro[4.0.5.3]tetradecane-9,13-dicarboxylate

  • Molecular FormulaC24H33N3O5
  • Average mass443.536 Da
  • Monoisotopic mass443.242035 Da
  • ChemSpider ID122902794

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5R)-1-Oxo-2,9,13-triazadispiro[4.0.5.3]tétradécane-9,13-dicarboxylate de 13-benzyle et de 9-(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
13-Benzyl 9-(2-methyl-2-propanyl) (5R)-1-oxo-2,9,13-triazadispiro[4.0.5.3]tetradecane-9,13-dicarboxylate [ACD/IUPAC Name]
13-Benzyl-9-(2-methyl-2-propanyl)-(5R)-1-oxo-2,9,13-triazadispiro[4.0.5.3]tetradecan-9,13-dicarboxylat [German] [ACD/IUPAC Name]
2,9,13-Triazadispiro[4.0.5.3]tetradecane-9,13-dicarboxylic acid, 1-oxo-, 9-(1,1-dimethylethyl) 13-(phenylmethyl) ester, (5R)- [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: 632.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.5±3.0 kJ/mol
Flash Point: 336.5±31.5 °C
Index of Refraction: 1.593
Molar Refractivity: 119.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.55
ACD/LogD (pH 5.5): 2.48
ACD/BCF (pH 5.5): 45.26
ACD/KOC (pH 5.5): 533.03
ACD/LogD (pH 7.4): 2.48
ACD/BCF (pH 7.4): 45.26
ACD/KOC (pH 7.4): 533.03
Polar Surface Area: 88 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 56.0±5.0 dyne/cm
Molar Volume: 351.9±5.0 cm3

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