ChemSpider 2D Image | Hymenopsin B | C22H30O6

Hymenopsin B

  • Molecular FormulaC22H30O6
  • Average mass390.470 Da
  • Monoisotopic mass390.204254 Da
  • ChemSpider ID24661412

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1R,4aR,4bS,5aR,6aS,7aR,8aR,8bR,11aR)-8b-Hydroxy-1,7a-bis(hydroxymethyl)-1,4a-dimethyl-2,3,4,4a,4b,5,7a,8a,8b,9,11,11a-dodecahydro-1H-oxireno[11,11a]tetrapheno[8,9-b]oxiren-7(6aH)-on [German] [ACD/IUPAC Name]
(1R,4aR,4bS,5aR,6aS,7aR,8aR,8bR,11aR)-8b-Hydroxy-1,7a-bis(hydroxymethyl)-1,4a-dimethyl-2,3,4,4a,4b,5,7a,8a,8b,9,11,11a-dodecahydro-1H-oxireno[11,11a]tetrapheno[8,9-b]oxiren-7(6aH)-one [ACD/IUPAC Name]
(1R,4aR,4bS,5aR,6aS,7aR,8aR,8bR,11aR)-8b-Hydroxy-1,7a-bis(hydroxyméthyl)-1,4a-diméthyl-2,3,4,4a,4b,5,7a,8a,8b,9,11,11a-dodécahydro-1H-oxiréno[11,11a]tétraphéno[8,9-b]oxirén-7(6aH)-one [French] [ACD/IUPAC Name]
Hymenopsin B

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

Density: 1.4±0.1 g/cm3
Boiling Point: 605.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 103.3±6.0 kJ/mol
Flash Point: 213.4±25.0 °C
Index of Refraction: 1.641
Molar Refractivity: 99.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.70
ACD/LogD (pH 5.5): 3.43
ACD/BCF (pH 5.5): 238.11
ACD/KOC (pH 5.5): 1749.46
ACD/LogD (pH 7.4): 3.43
ACD/BCF (pH 7.4): 238.11
ACD/KOC (pH 7.4): 1749.46
Polar Surface Area: 103 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 66.6±5.0 dyne/cm
Molar Volume: 276.0±5.0 cm3

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