ChemSpider 2D Image | (1S,2R,4S,8S,11R)-1,4-Dihydroxy-2,5,5-trimethyl-9-thiatetracyclo[6.5.0.0~2,11~.0~3,7~]tridec-3(7)-ene-6,12-dione | C15H18O4S

(1S,2R,4S,8S,11R)-1,4-Dihydroxy-2,5,5-trimethyl-9-thiatetracyclo[6.5.0.02,11.03,7]tridec-3(7)-ene-6,12-dione

  • Molecular FormulaC15H18O4S
  • Average mass294.366 Da
  • Monoisotopic mass294.092590 Da
  • ChemSpider ID78441548

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S,2R,4S,8S,11R)-1,4-Dihydroxy-2,5,5-trimethyl-9-thiatetracyclo[6.5.0.02,11.03,7]tridec-3(7)-en-6,12-dion [German] [ACD/IUPAC Name]
(1S,2R,4S,8S,11R)-1,4-Dihydroxy-2,5,5-trimethyl-9-thiatetracyclo[6.5.0.02,11.03,7]tridec-3(7)-ene-6,12-dione [ACD/IUPAC Name]
(1S,2R,4S,8S,11R)-1,4-Dihydroxy-2,5,5-triméthyl-9-thiatétracyclo[6.5.0.02,11.03,7]tridéc-3(7)-ène-6,12-dione [French] [ACD/IUPAC Name]
7,3-(Epithiomethano)-1H-cyclopenta[a]pentalene-2,6-dione, 3,3a,4,5,7,7a-hexahydro-4,7a-dihydroxy-3a,5,5-trimethyl-, (3R,3aR,4S,7S,7aS)- [ACD/Index Name]
Hirsutenol F

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

Density: 1.5±0.1 g/cm3
Boiling Point: 533.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.1±6.0 kJ/mol
Flash Point: 276.2±30.1 °C
Index of Refraction: 1.663
Molar Refractivity: 74.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.32
ACD/LogD (pH 5.5): 0.54
ACD/BCF (pH 5.5): 1.51
ACD/KOC (pH 5.5): 46.77
ACD/LogD (pH 7.4): 0.54
ACD/BCF (pH 7.4): 1.51
ACD/KOC (pH 7.4): 46.77
Polar Surface Area: 100 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 67.4±5.0 dyne/cm
Molar Volume: 199.8±5.0 cm3

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