ChemSpider 2D Image | Radicicol | C18H17ClO6


  • Molecular FormulaC18H17ClO6
  • Average mass364.777 Da
  • Monoisotopic mass364.071381 Da
  • ChemSpider ID20137057
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

Featured data source

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

(1aR,2Z,4E,14R,15aR)-8-Chlor-9,11-dihydroxy-14-methyl-1a,14,15,15a-tetrahydro-6H-oxireno[e][2]benzoxacyclotetradecin-6,12(7H)-dion [German] [ACD/IUPAC Name]
(1aR,2Z,4E,14R,15aR)-8-Chloro-9,11-dihydroxy-14-methyl-1a,14,15,15a-tetrahydro-6H-oxireno[e][2]benzoxacyclotetradecine-6,12(7H)-dione [ACD/IUPAC Name]
(1aR,2Z,4E,14R,15aR)-8-Chloro-9,11-dihydroxy-14-méthyl-1a,14,15,15a-tétrahydro-6H-oxiréno[e][2]benzoxacyclotétradécine-6,12(7H)-dione [French] [ACD/IUPAC Name]
12772-57-5 [RN]
6H-Oxireno[e][2]benzoxacyclotetradecin-6,12(7H)-dione, 8-chloro-1a,14,15,15a-tetrahydro-9,11-dihydroxy-14-methyl-, (1aR,2Z,4E,14R,15aR)- [ACD/Index Name]
Radicicol [Wiki]

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

  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      Antifungal antibiotic. Inhibits heat shock protein 90 (Hsp90) activity by binding to the ATP-binding pocket, subsequently suppressing cell transformation induced by src, ras and mos. Represses estroge n receptor transcriptional activity and inhibits angiogenesis. Tocris Bioscience 1589
      Hsp90 inhibitor. Antifungal antibiotic Tocris Bioscience 1589

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

Density: 1.4±0.1 g/cm3
Boiling Point: 656.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.1±3.0 kJ/mol
Flash Point: 350.7±31.5 °C
Index of Refraction: 1.583
Molar Refractivity: 89.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.53
ACD/LogD (pH 5.5): 2.71
ACD/BCF (pH 5.5): 64.60
ACD/KOC (pH 5.5): 653.99
ACD/LogD (pH 7.4): 1.49
ACD/BCF (pH 7.4): 3.87
ACD/KOC (pH 7.4): 39.15
Polar Surface Area: 96 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 50.1±3.0 dyne/cm
Molar Volume: 267.4±3.0 cm3

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