ChemSpider 2D Image | (1R,4aR,4bS,5aR,6aR,7S,7aS,8aR,8bR,11aR)-1,7a-Bis(hydroxymethyl)-1,4a-dimethyl-1,2,3,4,4a,4b,5,6a,7,7a,8a,9,11,11a-tetradecahydro-8bH-oxireno[11,11a]tetrapheno[8,9-b]oxirene-7,8b-diol | C22H32O6

(1R,4aR,4bS,5aR,6aR,7S,7aS,8aR,8bR,11aR)-1,7a-Bis(hydroxymethyl)-1,4a-dimethyl-1,2,3,4,4a,4b,5,6a,7,7a,8a,9,11,11a-tetradecahydro-8bH-oxireno[11,11a]tetrapheno[8,9-b]oxirene-7,8b-diol

  • Molecular FormulaC22H32O6
  • Average mass392.486 Da
  • Monoisotopic mass392.219879 Da
  • ChemSpider ID24661067

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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(1R,4aR,4bS,5aR,6aR,7S,7aS,8aR,8bR,11aR)-1,7a-Bis(hydroxymethyl)-1,4a-dimethyl-1,2,3,4,4a,4b,5,6a,7,7a,8a,9,11,11a-tetradecahydro-8bH-oxireno[11,11a]tetrapheno[8,9-b]oxiren-7,8b-diol [German] [ACD/IUPAC Name]
(1R,4aR,4bS,5aR,6aR,7S,7aS,8aR,8bR,11aR)-1,7a-Bis(hydroxymethyl)-1,4a-dimethyl-1,2,3,4,4a,4b,5,6a,7,7a,8a,9,11,11a-tetradecahydro-8bH-oxireno[11,11a]tetrapheno[8,9-b]oxirene-7,8b-diol [ACD/IUPAC Name]
(1R,4aR,4bS,5aR,6aR,7S,7aS,8aR,8bR,11aR)-1,7a-Bis(hydroxyméthyl)-1,4a-diméthyl-1,2,3,4,4a,4b,5,6a,7,7a,8a,9,11,11a-tétradécahydro-8bH-oxiréno[11,11a]tétraphéno[8,9-b]oxirène-7,8b-diol [French] [ACD/IUPAC Name]
HYMENOPSIN A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 613.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.3±6.0 kJ/mol
Flash Point: 324.5±31.5 °C
Index of Refraction: 1.649
Molar Refractivity: 100.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.39
ACD/LogD (pH 5.5): 3.24
ACD/BCF (pH 5.5): 172.32
ACD/KOC (pH 5.5): 1387.94
ACD/LogD (pH 7.4): 3.24
ACD/BCF (pH 7.4): 172.32
ACD/KOC (pH 7.4): 1387.93
Polar Surface Area: 106 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 68.9±5.0 dyne/cm
Molar Volume: 277.0±5.0 cm3

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