ChemSpider 2D Image | chaetomugilin N | C23H25ClO6

chaetomugilin N

  • Molecular FormulaC23H25ClO6
  • Average mass432.894 Da
  • Monoisotopic mass432.133972 Da
  • ChemSpider ID27024232

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(6aS,9R,9aS)-5-Chlor-3-[(1E,3R,4R)-4-hydroxy-3-methyl-1-penten-1-yl]-6a-methyl-9-[(2E)-2-methyl-2-butenoyl]-9,9a-dihydro-6H-furo[2,3-h]isochromen-6,8(6aH)-dion [German] [ACD/IUPAC Name]
(6aS,9R,9aS)-5-Chloro-3-[(1E,3R,4R)-4-hydroxy-3-methyl-1-penten-1-yl]-6a-methyl-9-[(2E)-2-methyl-2-butenoyl]-9,9a-dihydro-6H-furo[2,3-h]isochromene-6,8(6aH)-dione [ACD/IUPAC Name]
(6aS,9R,9aS)-5-Chloro-3-[(1E,3R,4R)-4-hydroxy-3-méthyl-1-pentén-1-yl]-6a-méthyl-9-[(2E)-2-méthyl-2-butenoyl]-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-3-[(1E,3R,4R)-4-hydroxy-3-methyl-1-penten-1-yl]-6a-methyl-9-[(2E)-2-methyl-1-oxo-2-buten-1-yl]-, (6aS,9R,9aS)- [ACD/Index Name]
chaetomugilin N

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

Density: 1.3±0.1 g/cm3
Boiling Point: 631.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 107.1±6.0 kJ/mol
Flash Point: 335.9±31.5 °C
Index of Refraction: 1.587
Molar Refractivity: 110.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.63
ACD/LogD (pH 5.5): 1.62
ACD/BCF (pH 5.5): 10.09
ACD/KOC (pH 5.5): 182.09
ACD/LogD (pH 7.4): 1.62
ACD/BCF (pH 7.4): 10.06
ACD/KOC (pH 7.4): 181.44
Polar Surface Area: 90 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 51.2±5.0 dyne/cm
Molar Volume: 329.9±5.0 cm3

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