ChemSpider 2D Image | chaetomugilin M | C23H27ClO7

chaetomugilin M

  • Molecular FormulaC23H27ClO7
  • Average mass450.909 Da
  • Monoisotopic mass450.144531 Da
  • ChemSpider ID27024231

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(6aS,9R,9aS)-5-Chlor-9-[(2R,3R)-3-hydroxy-2-methylbutanoyl]-3-[(1E,3R,4R)-4-hydroxy-3-methyl-1-penten-1-yl]-6a-methyl-9,9a-dihydro-6H-furo[2,3-h]isochromen-6,8(6aH)-dion [German] [ACD/IUPAC Name]
(6aS,9R,9aS)-5-Chloro-9-[(2R,3R)-3-hydroxy-2-methylbutanoyl]-3-[(1E,3R,4R)-4-hydroxy-3-methyl-1-penten-1-yl]-6a-methyl-9,9a-dihydro-6H-furo[2,3-h]isochromene-6,8(6aH)-dione [ACD/IUPAC Name]
(6aS,9R,9aS)-5-Chloro-9-[(2R,3R)-3-hydroxy-2-méthylbutanoyl]-3-[(1E,3R,4R)-4-hydroxy-3-méthyl-1-pentén-1-yl]-6a-méthyl-9,9a-dihydro-6H-furo[2,3-h]isochromène-6,8(6aH)-dione [French] [ACD/IUPAC Name]
6H-Furo[2,3-h]-2-benzopyran-6,8(6aH)-dione, 5-chloro-9,9a-dihydro-9-[(2R,3R)-3-hydroxy-2-methyl-1-oxobutyl]-3-[(1E,3R,4R)-4-hydroxy-3-methyl-1-penten-1-yl]-6a-methyl-, (6aS,9R,9aS)- [ACD/Index Name]
chaetomugilin M

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

Density: 1.3±0.1 g/cm3
Boiling Point: 658.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 111.0±6.0 kJ/mol
Flash Point: 352.2±31.5 °C
Index of Refraction: 1.588
Molar Refractivity: 112.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.39
ACD/LogD (pH 5.5): 0.61
ACD/BCF (pH 5.5): 1.72
ACD/KOC (pH 5.5): 51.40
ACD/LogD (pH 7.4): 0.61
ACD/BCF (pH 7.4): 1.70
ACD/KOC (pH 7.4): 50.72
Polar Surface Area: 110 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 54.7±5.0 dyne/cm
Molar Volume: 335.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement