ChemSpider 2D Image | (8R,10S,15S,29S)-9,30-Dioxa-11,25-diazapentacyclo[20.6.2.2~8,11~.0~10,15~.0~25,29~]dotriacontane | C28H50N2O2

(8R,10S,15S,29S)-9,30-Dioxa-11,25-diazapentacyclo[20.6.2.28,11.010,15.025,29]dotriacontane

  • Molecular FormulaC28H50N2O2
  • Average mass446.709 Da
  • Monoisotopic mass446.387238 Da
  • ChemSpider ID44211339
  • defined stereocentres - 4 of 6 defined stereocentres


More details:






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

(8R,10S,15S,29S)-9,30-Dioxa-11,25-diazapentacyclo[20.6.2.28,11.010,15.025,29]dotriacontan [German] [ACD/IUPAC Name]
(8R,10S,15S,29S)-9,30-Dioxa-11,25-diazapentacyclo[20.6.2.28,11.010,15.025,29]dotriacontane [ACD/IUPAC Name]
(8R,10S,15S,29S)-9,30-Dioxa-11,25-diazapentacyclo[20.6.2.28,11.010,15.025,29]dotriacontane [French] [ACD/IUPAC Name]
5H,17H-1,23:11,13-Diethano-2H,14H-[1,11]dioxacycloeicosino[10,9-b:20,19-b']dipyridine, eicosahydro-, (11R,12aS,16aS,24aS)- [ACD/Index Name]
(-)-Xestospongin C
[88903-69-9]
HZ3988000
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      Calcium Signaling Tocris Bioscience 1280
      Cell Biology Tocris Bioscience 1280
      Reported inhibitor of IP3-dependent Ca2+ release. Inhibits bradykinin-induced Ca2+ release in PC12 cells and attenuates PHP-induced IL-2 production in Jurkat T cells. Exhibits no effect on ryanodine receptor-mediated Ca2+ release in PC12 cells. Does not interact with the IP3 binding site. Recently shown to be an ineffective antagonist of IP3-evoked Ca2+ release in IP3 receptor expressing DT40 cells. Cell permeable. Tocris Bioscience 1280
      Signal Transduction Tocris Bioscience 1280

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 564.7±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.8±3.0 kJ/mol
Flash Point: 145.6±23.2 °C
Index of Refraction: 1.542
Molar Refractivity: 132.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 9.02
ACD/LogD (pH 5.5): 4.33
ACD/BCF (pH 5.5): 154.01
ACD/KOC (pH 5.5): 118.44
ACD/LogD (pH 7.4): 7.34
ACD/BCF (pH 7.4): 155747.80
ACD/KOC (pH 7.4): 119772.66
Polar Surface Area: 25 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 44.0±5.0 dyne/cm
Molar Volume: 421.5±5.0 cm3

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