ChemSpider 2D Image | onchitriol II A | C34H50O8

onchitriol II A

  • Molecular FormulaC34H50O8
  • Average mass586.756 Da
  • Monoisotopic mass586.350586 Da
  • ChemSpider ID8161370

  • 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

(2R,3R,4S,5S,6E,8R)-2-(6-Ethyl-3,5-dimethyl-4-oxo-4H-pyran-2-yl)-5-hydroxy-8-{6-[(2S,3S)-3-hydroxy-2-pentanyl]-3,5-dimethyl-4-oxo-4H-pyran-2-yl}-4,6-dimethyl-6-nonen-3-yl acetate [ACD/IUPAC Name]
(2R,3R,4S,5S,6E,8R)-2-(6-Ethyl-3,5-dimethyl-4-oxo-4H-pyran-2-yl)-5-hydroxy-8-{6-[(2S,3S)-3-hydroxy-2-pentanyl]-3,5-dimethyl-4-oxo-4H-pyran-2-yl}-4,6-dimethyl-6-nonen-3-yl-acetat [German] [ACD/IUPAC Name]
4H-Pyran-4-one, 2-[(1R,2E,4S,5S,6R,7R)-6-(acetyloxy)-7-(6-ethyl-3,5-dimethyl-4-oxo-4H-pyran-2-yl)-4-hydroxy-1,3,5-trimethyl-2-octen-1-yl]-6-[(1S,2S)-2-hydroxy-1-methylbutyl]-3,5-dimethyl- [ACD/Index Name]
Acétate de (2R,3R,4S,5S,6E,8R)-2-(6-éthyl-3,5-diméthyl-4-oxo-4H-pyran-2-yl)-5-hydroxy-8-{6-[(2S,3S)-3-hydroxy-2-pentanyl]-3,5-diméthyl-4-oxo-4H-pyran-2-yl}-4,6-diméthyl-6-nonén-3-yle [French] [ACD/IUPAC Name]
onchitriol II A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 713.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.2±6.0 kJ/mol
Flash Point: 217.1±26.4 °C
Index of Refraction: 1.520
Molar Refractivity: 162.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 6.25
ACD/LogD (pH 5.5): 5.66
ACD/BCF (pH 5.5): 11786.28
ACD/KOC (pH 5.5): 28568.02
ACD/LogD (pH 7.4): 5.66
ACD/BCF (pH 7.4): 11786.28
ACD/KOC (pH 7.4): 28568.02
Polar Surface Area: 119 Å2
Polarizability: 64.2±0.5 10-24cm3
Surface Tension: 39.4±3.0 dyne/cm
Molar Volume: 532.4±3.0 cm3

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