ChemSpider 2D Image | Radicicol | C18H17ClO6

Radicicol

  • 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]
monorden
Radicicol [Wiki]
(1aR,2Z,4E,14R,15aR)-8-Chloro-1a,14,15,15a-tetrahydro-9,11-dihydroxy-14-methyl-6H-oxireno[e][2]benzoxacyclotetradecin-6,12(7H)-dione
(4E)-8-chloro-1aR,14R,15,15aR-tetrahydro-9,11-dihydroxy-14-methyl-6H-oxireno[e][2Z]benzoxacyclotetradecin-6,12(7H)-dione
[12772-57-5]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

R2146_SIGMA [DBID]
  • 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
      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 estrogen 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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