ChemSpider 2D Image | (1S,2R,3S,4S,6R,7S,8R)-3-Hydroxy-2,4,7,14-tetramethyl-9-oxo-4-vinyltricyclo[5.4.3.0~1,8~]tetradec-6-yl 2-oxo-2-(1-piperazinyl)ethyl imidodicarbonate | C28H43N3O7

(1S,2R,3S,4S,6R,7S,8R)-3-Hydroxy-2,4,7,14-tetramethyl-9-oxo-4-vinyltricyclo[5.4.3.01,8]tetradec-6-yl 2-oxo-2-(1-piperazinyl)ethyl imidodicarbonate

  • Molecular FormulaC28H43N3O7
  • Average mass533.657 Da
  • Monoisotopic mass533.310120 Da
  • ChemSpider ID8477597

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(1S,2R,3S,4S,6R,7S,8R)-3-Hydroxy-2,4,7,14-tetramethyl-9-oxo-4-vinyltricyclo[5.4.3.01,8]tetradec-6-yl 2-oxo-2-(1-piperazinyl)ethyl imidodicarbonate [ACD/IUPAC Name]
(1S,2R,3S,4S,6R,7S,8R)-3-Hydroxy-2,4,7,14-tetramethyl-9-oxo-4-vinyltricyclo[5.4.3.01,8]tetradec-6-yl-2-oxo-2-(1-piperazinyl)ethylimidodicarbonat [German] [ACD/IUPAC Name]
Carbamic acid, N-[[2-oxo-2-(1-piperazinyl)ethoxy]carbonyl]-, (3aS,4R,5S,6S,8R,9S,9aR)-6-ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH-cyclopentacycloocten-8-yl ester [ACD/Index Name]
Imidodicarbonate de (1S,2R,3S,4S,6R,7S,8R)-3-hydroxy-2,4,7,14-tétraméthyl-9-oxo-4-vinyltricyclo[5.4.3.01,8]tétradéc-6-yle et de 2-oxo-2-(1-pipérazinyl)éthyle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 665.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.0±6.0 kJ/mol
Flash Point: 356.4±31.5 °C
Index of Refraction: 1.565
Molar Refractivity: 139.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 2.64
ACD/LogD (pH 5.5): 0.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.97
ACD/LogD (pH 7.4): 2.21
ACD/BCF (pH 7.4): 18.88
ACD/KOC (pH 7.4): 175.83
Polar Surface Area: 134 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 53.9±5.0 dyne/cm
Molar Volume: 429.1±5.0 cm3

Click to predict properties on the Chemicalize site


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