ChemSpider 2D Image | 2-(1,1-Dioxido-4-thiomorpholinyl)ethyl (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 imidodicarbonate | C28H44N2O8S

2-(1,1-Dioxido-4-thiomorpholinyl)ethyl (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 imidodicarbonate

  • Molecular FormulaC28H44N2O8S
  • Average mass568.723 Da
  • Monoisotopic mass568.281860 Da
  • ChemSpider ID8296160

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

2-(1,1-Dioxido-4-thiomorpholinyl)ethyl (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 imidodicarbonate [ACD/IUPAC Name]
2-(1,1-Dioxido-4-thiomorpholinyl)ethyl-(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-ylimidodicarbonat [German] [ACD/IUPAC Name]
Carbamic acid, N-[[2-(1,1-dioxido-4-thiomorpholinyl)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 2-(1,1-dioxydo-4-thiomorpholinyl)éthyle et 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 [French] [ACD/IUPAC 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: 705.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 117.9±6.0 kJ/mol
Flash Point: 380.4±32.9 °C
Index of Refraction: 1.567
Molar Refractivity: 144.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.52
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 64.63
ACD/KOC (pH 5.5): 667.80
ACD/LogD (pH 7.4): 2.59
ACD/BCF (pH 7.4): 50.04
ACD/KOC (pH 7.4): 517.06
Polar Surface Area: 148 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 55.1±5.0 dyne/cm
Molar Volume: 443.8±5.0 cm3

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