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Search term: VELKRHLRXGRDEF (Found by InChIKey (skeleton match))
ChemSpider 2D Image | bromomethylchlamydosporol A | C12H15BrO5

bromomethylchlamydosporol A

  • Molecular FormulaC12H15BrO5
  • Average mass319.148 Da
  • Monoisotopic mass318.010284 Da
  • ChemSpider ID26391596

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(7R,8S)-8-Brom-4,7-dimethoxy-7,8-dimethyl-7,8-dihydro-2H,5H-pyrano[4,3-b]pyran-2-on [German] [ACD/IUPAC Name]
(7R,8S)-8-Bromo-4,7-dimethoxy-7,8-dimethyl-7,8-dihydro-2H,5H-pyrano[4,3-b]pyran-2-one [ACD/IUPAC Name]
(7R,8S)-8-Bromo-4,7-diméthoxy-7,8-diméthyl-7,8-dihydro-2H,5H-pyrano[4,3-b]pyran-2-one [French] [ACD/IUPAC Name]
2H,5H-Pyrano[4,3-b]pyran-2-one, 8-bromo-7,8-dihydro-4,7-dimethoxy-7,8-dimethyl-, (7R,8S)- [ACD/Index Name]
bromomethylchlamydosporol A

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

Density: 1.5±0.1 g/cm3
Boiling Point: 434.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.0±3.0 kJ/mol
Flash Point: 216.3±28.7 °C
Index of Refraction: 1.550
Molar Refractivity: 67.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.26
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 19.53
ACD/KOC (pH 5.5): 292.11
ACD/LogD (pH 7.4): 2.00
ACD/BCF (pH 7.4): 19.53
ACD/KOC (pH 7.4): 292.11
Polar Surface Area: 54 Å2
Polarizability: 26.8±0.5 10-24cm3
Surface Tension: 44.7±5.0 dyne/cm
Molar Volume: 211.7±5.0 cm3

Click to predict properties on the Chemicalize site


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