Found 1 result

Search term: 30770874 (Found by CSID)
ChemSpider 2D Image | (3R,10aR)-10a-{[(1R,3S)-3-Bromo-2,2-dimethyl-6-methylenecyclohexyl]methyl}-3-chloro-6,8-dihydroxy-2,2-dimethyl-3,10a-dihydro-2H-benzo[g]chromene-5,10-dione | C25H28BrClO5

(3R,10aR)-10a-{[(1R,3S)-3-Bromo-2,2-dimethyl-6-methylenecyclohexyl]methyl}-3-chloro-6,8-dihydroxy-2,2-dimethyl-3,10a-dihydro-2H-benzo[g]chromene-5,10-dione

  • Molecular FormulaC25H28BrClO5
  • Average mass523.844 Da
  • Monoisotopic mass522.080872 Da
  • ChemSpider ID30770874

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3R,10aR)-10a-{[(1R,3S)-3-Brom-2,2-dimethyl-6-methylencyclohexyl]methyl}-3-chlor-6,8-dihydroxy-2,2-dimethyl-3,10a-dihydro-2H-benzo[g]chromen-5,10-dion [German] [ACD/IUPAC Name]
(3R,10aR)-10a-{[(1R,3S)-3-Bromo-2,2-dimethyl-6-methylenecyclohexyl]methyl}-3-chloro-6,8-dihydroxy-2,2-dimethyl-3,10a-dihydro-2H-benzo[g]chromene-5,10-dione [ACD/IUPAC Name]
(3R,10aR)-10a-{[(1R,3S)-3-Bromo-2,2-diméthyl-6-méthylènecyclohexyl]méthyl}-3-chloro-6,8-dihydroxy-2,2-diméthyl-3,10a-dihydro-2H-benzo[g]chromène-5,10-dione [French] [ACD/IUPAC Name]
2H-Naphtho[2,3-b]pyran-5,10-dione, 10a-[[(1R,3S)-3-bromo-2,2-dimethyl-6-methylenecyclohexyl]methyl]-3-chloro-3,10a-dihydro-6,8-dihydroxy-2,2-dimethyl-, (3R,10aR)- [ACD/Index Name]
napyradiomycin E

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

Density: 1.5±0.1 g/cm3
Boiling Point: 666.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.6±3.0 kJ/mol
Flash Point: 357.1±31.5 °C
Index of Refraction: 1.629
Molar Refractivity: 125.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 7.47
ACD/LogD (pH 5.5): 6.97
ACD/BCF (pH 5.5): 111404.60
ACD/KOC (pH 5.5): 136218.58
ACD/LogD (pH 7.4): 5.74
ACD/BCF (pH 7.4): 6641.62
ACD/KOC (pH 7.4): 8120.96
Polar Surface Area: 84 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 59.4±5.0 dyne/cm
Molar Volume: 352.9±5.0 cm3

Click to predict properties on the Chemicalize site


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