ChemSpider 2D Image | chaetomugilin Q | C22H29ClO6

chaetomugilin Q

  • Molecular FormulaC22H29ClO6
  • Average mass424.915 Da
  • Monoisotopic mass424.165253 Da
  • ChemSpider ID26607341

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(7S,8S)-5-Chlor-7-hydroxy-8-[(3S,4S)-4-hydroxy-3-methyl-2-oxopentyl]-3-[(1E,3R,4R)-4-hydroxy-3-methyl-1-penten-1-yl]-7-methyl-7,8-dihydro-6H-isochromen-6-on [German] [ACD/IUPAC Name]
(7S,8S)-5-Chloro-7-hydroxy-8-[(3S,4S)-4-hydroxy-3-methyl-2-oxopentyl]-3-[(1E,3R,4R)-4-hydroxy-3-methyl-1-penten-1-yl]-7-methyl-7,8-dihydro-6H-isochromen-6-one [ACD/IUPAC Name]
(7S,8S)-5-Chloro-7-hydroxy-8-[(3S,4S)-4-hydroxy-3-méthyl-2-oxopentyl]-3-[(1E,3R,4R)-4-hydroxy-3-méthyl-1-pentén-1-yl]-7-méthyl-7,8-dihydro-6H-isochromén-6-one [French] [ACD/IUPAC Name]
6H-2-Benzopyran-6-one, 5-chloro-7,8-dihydro-7-hydroxy-8-[(3S,4S)-4-hydroxy-3-methyl-2-oxopentyl]-3-[(1E,3R,4R)-4-hydroxy-3-methyl-1-penten-1-yl]-7-methyl-, (7S,8S)- [ACD/Index Name]
chaetomugilin Q
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL1797230/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 604.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 103.1±6.0 kJ/mol
Flash Point: 319.3±31.5 °C
Index of Refraction: 1.576
Molar Refractivity: 109.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -0.51
ACD/LogD (pH 5.5): 0.98
ACD/BCF (pH 5.5): 3.29
ACD/KOC (pH 5.5): 81.59
ACD/LogD (pH 7.4): 0.98
ACD/BCF (pH 7.4): 3.29
ACD/KOC (pH 7.4): 81.58
Polar Surface Area: 104 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 52.9±5.0 dyne/cm
Molar Volume: 331.8±5.0 cm3

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