ChemSpider 2D Image | chaetomugilin P | C22H27ClO5

chaetomugilin P

  • Molecular FormulaC22H27ClO5
  • Average mass406.900 Da
  • Monoisotopic mass406.154694 Da
  • ChemSpider ID26607340

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(8S)-8-[(2S,4Z)-4-Chlor-2-hydroxy-3-oxo-4-hexen-2-yl]-3-[(1E,3R,4R)-4-hydroxy-3-methyl-1-penten-1-yl]-5-methyl-7,8-dihydro-6H-isochromen-6-on [German] [ACD/IUPAC Name]
(8S)-8-[(2S,4Z)-4-Chloro-2-hydroxy-3-oxo-4-hexen-2-yl]-3-[(1E,3R,4R)-4-hydroxy-3-methyl-1-penten-1-yl]-5-methyl-7,8-dihydro-6H-isochromen-6-one [ACD/IUPAC Name]
(8S)-8-[(2S,4Z)-4-Chloro-2-hydroxy-3-oxo-4-hexén-2-yl]-3-[(1E,3R,4R)-4-hydroxy-3-méthyl-1-pentén-1-yl]-5-méthyl-7,8-dihydro-6H-isochromén-6-one [French] [ACD/IUPAC Name]
6H-2-Benzopyran-6-one, 8-[(1S,3Z)-3-chloro-1-hydroxy-1-methyl-2-oxo-3-penten-1-yl]-7,8-dihydro-3-[(1E,3R,4R)-4-hydroxy-3-methyl-1-penten-1-yl]-5-methyl-, (8S)- [ACD/Index Name]
chaetomugilin P
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL1797229/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 619.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.3±6.0 kJ/mol
Flash Point: 328.4±31.5 °C
Index of Refraction: 1.576
Molar Refractivity: 108.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.24
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 37.54
ACD/KOC (pH 5.5): 466.28
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 37.54
ACD/KOC (pH 7.4): 466.28
Polar Surface Area: 84 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 49.4±5.0 dyne/cm
Molar Volume: 326.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement