ChemSpider 2D Image | (2R)-1-[(1R,7S)-10,10-Dimethyl-3,3-dioxido-3-thia-4-azatricyclo[5.2.1.0~1,5~]dec-4-yl]-2-hydroxy-2-{(2R,2'R,5S,5'R)-5'-[(1S)-1-hydroxypropyl]octahydro-2,2'-bifuran-5-yl}ethanone | C23H37NO7S

(2R)-1-[(1R,7S)-10,10-Dimethyl-3,3-dioxido-3-thia-4-azatricyclo[5.2.1.01,5]dec-4-yl]-2-hydroxy-2-{(2R,2'R,5S,5'R)-5'-[(1S)-1-hydroxypropyl]octahydro-2,2'-bifuran-5-yl}ethanone

  • Molecular FormulaC23H37NO7S
  • Average mass471.607 Da
  • Monoisotopic mass471.229065 Da
  • ChemSpider ID30658879

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2R)-1-[(1R,7S)-10,10-Dimethyl-3,3-dioxido-3-thia-4-azatricyclo[5.2.1.01,5]dec-4-yl]-2-hydroxy-2-{(2R,2'R,5S,5'R)-5'-[(1S)-1-hydroxypropyl]octahydro-2,2'-bifuran-5-yl}ethanon [German] [ACD/IUPAC Name]
(2R)-1-[(1R,7S)-10,10-Dimethyl-3,3-dioxido-3-thia-4-azatricyclo[5.2.1.01,5]dec-4-yl]-2-hydroxy-2-{(2R,2'R,5S,5'R)-5'-[(1S)-1-hydroxypropyl]octahydro-2,2'-bifuran-5-yl}ethanone [ACD/IUPAC Name]
(2R)-1-[(1R,7S)-10,10-Diméthyl-3,3-dioxydo-3-thia-4-azatricyclo[5.2.1.01,5]déc-4-yl]-2-hydroxy-2-{(2R,2'R,5S,5'R)-5'-[(1S)-1-hydroxypropyl]octahydro-2,2'-bifuran-5-yl}éthanone [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 624.9±58.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 106.1±6.0 kJ/mol
Flash Point: 331.7±32.3 °C
Index of Refraction: 1.593
Molar Refractivity: 117.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.57
ACD/LogD (pH 5.5): 0.60
ACD/BCF (pH 5.5): 1.68
ACD/KOC (pH 5.5): 50.37
ACD/LogD (pH 7.4): 0.60
ACD/BCF (pH 7.4): 1.68
ACD/KOC (pH 7.4): 50.36
Polar Surface Area: 122 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 60.1±5.0 dyne/cm
Molar Volume: 346.9±5.0 cm3

Click to predict properties on the Chemicalize site


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