ChemSpider 2D Image | phomoxanthone D | C30H32O14

phomoxanthone D

  • Molecular FormulaC30H32O14
  • Average mass616.567 Da
  • Monoisotopic mass616.179199 Da
  • ChemSpider ID71048889

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1S,10R,11S,13S,14S)-7,10,11,14-Tetrahydroxy-13-methyl-6-[(1S,3S,4S,4aS,9aR)-1,4,8,9a-tetrahydroxy-4a-(hydroxymethyl)-3-methyl-9-oxo-2,3,4,4a,9,9a-hexahydro-1H-xanthen-7-yl]-2,16-dioxatetracyclo[9.3.2 ;.01,10.03,8]hexadeca-3,5,7-trien-9-on [German] [ACD/IUPAC Name]
(1S,10R,11S,13S,14S)-7,10,11,14-Tetrahydroxy-13-methyl-6-[(1S,3S,4S,4aS,9aR)-1,4,8,9a-tetrahydroxy-4a-(hydroxymethyl)-3-methyl-9-oxo-2,3,4,4a,9,9a-hexahydro-1H-xanthen-7-yl]-2,16-dioxatetracyclo[9.3.2 ;.01,10.03,8]hexadeca-3,5,7-trien-9-one [ACD/IUPAC Name]
(1S,10R,11S,13S,14S)-7,10,11,14-Tétrahydroxy-13-méthyl-6-[(1S,3S,4S,4aS,9aR)-1,4,8,9a-tétrahydroxy-4a-(hydroxyméthyl)-3-méthyl-9-oxo-2,3,4,4a,9,9a-hexahydro-1H-xanthén-7-yl]-2,16-dioxatétracyclo[9.3.2 ;.01,10.03,8]hexadéca-3,5,7-trién-9-one [French] [ACD/IUPAC Name]
1,4a-(Epoxymethano)-4aH-xanthen-9(2H)-one, 7-[(1S,3S,4S,4aS,9aR)-2,3,4,4a,9,9a-hexahydro-1,4,8,9a-tetrahydroxy-4a-(hydroxymethyl)-3-methyl-9-oxo-1H-xanthen-7-yl]-1,3,4,9a-tetrahydro-1,4,8,9a-tetrahydr oxy-3-methyl-, (1S,3S,4S,4aS,9aR)- [ACD/Index Name]
phomoxanthone D

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

Density: 1.8±0.1 g/cm3
Boiling Point: 933.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.3±3.0 kJ/mol
Flash Point: 307.3±27.8 °C
Index of Refraction: 1.795
Molar Refractivity: 143.8±0.4 cm3
#H bond acceptors: 14
#H bond donors: 9
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 3
ACD/LogP: 4.56
ACD/LogD (pH 5.5): 2.89
ACD/BCF (pH 5.5): 88.23
ACD/KOC (pH 5.5): 816.29
ACD/LogD (pH 7.4): 0.98
ACD/BCF (pH 7.4): 1.10
ACD/KOC (pH 7.4): 10.15
Polar Surface Area: 244 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 127.9±5.0 dyne/cm
Molar Volume: 337.9±5.0 cm3

Click to predict properties on the Chemicalize site


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