ChemSpider 2D Image | (3R,4aS,10aR)-3-Chloro-10a-{[(1S,3S,6S)-3-chloro-6-hydroxy-2,2,6-trimethylcyclohexyl]methyl}-6,8-dihydroxy-2,2-dimethyl-3,4,4a,10a-tetrahydro-2H-benzo[g]chromene-5,10-dione | C25H32Cl2O6

(3R,4aS,10aR)-3-Chloro-10a-{[(1S,3S,6S)-3-chloro-6-hydroxy-2,2,6-trimethylcyclohexyl]methyl}-6,8-dihydroxy-2,2-dimethyl-3,4,4a,10a-tetrahydro-2H-benzo[g]chromene-5,10-dione

  • Molecular FormulaC25H32Cl2O6
  • Average mass499.424 Da
  • Monoisotopic mass498.157593 Da
  • ChemSpider ID30770875

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3R,4aS,10aR)-3-Chlor-10a-{[(1S,3S,6S)-3-chlor-6-hydroxy-2,2,6-trimethylcyclohexyl]methyl}-6,8-dihydroxy-2,2-dimethyl-3,4,4a,10a-tetrahydro-2H-benzo[g]chromen-5,10-dion [German] [ACD/IUPAC Name]
(3R,4aS,10aR)-3-Chloro-10a-{[(1S,3S,6S)-3-chloro-6-hydroxy-2,2,6-trimethylcyclohexyl]methyl}-6,8-dihydroxy-2,2-dimethyl-3,4,4a,10a-tetrahydro-2H-benzo[g]chromene-5,10-dione [ACD/IUPAC Name]
(3R,4aS,10aR)-3-Chloro-10a-{[(1S,3S,6S)-3-chloro-6-hydroxy-2,2,6-triméthylcyclohexyl]méthyl}-6,8-dihydroxy-2,2-diméthyl-3,4,4a,10a-tétrahydro-2H-benzo[g]chromène-5,10-dione [French] [ACD/IUPAC Name]
2H-Naphtho[2,3-b]pyran-5,10-dione, 3-chloro-10a-[[(1S,3S,6S)-3-chloro-6-hydroxy-2,2,6-trimethylcyclohexyl]methyl]-3,4,4a,10a-tetrahydro-6,8-dihydroxy-2,2-dimethyl-, (3R,4aS,10aR)- [ACD/Index Name]
Napyradiomycin F
napyrodiamycin F

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

Density: 1.4±0.1 g/cm3
Boiling Point: 677.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.5±3.0 kJ/mol
Flash Point: 363.6±31.5 °C
Index of Refraction: 1.608
Molar Refractivity: 124.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.66
ACD/LogD (pH 5.5): 6.24
ACD/BCF (pH 5.5): 31235.64
ACD/KOC (pH 5.5): 55134.16
ACD/LogD (pH 7.4): 5.08
ACD/BCF (pH 7.4): 2186.25
ACD/KOC (pH 7.4): 3858.96
Polar Surface Area: 104 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 60.7±5.0 dyne/cm
Molar Volume: 360.9±5.0 cm3

Click to predict properties on the Chemicalize site


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