ChemSpider 2D Image | pouoside H | C38H60O12

pouoside H

  • Molecular FormulaC38H60O12
  • Average mass708.876 Da
  • Monoisotopic mass708.408447 Da
  • ChemSpider ID28481202

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1S,2S,4S)-4-(β-D-Galactopyranosyloxy)-2-{(3E,6R,7E)-6-hydroxy-10-[(1S,2S)-2-hydroxy-2,6,6-trimethyl-5-oxo-3-cyclohexen-1-yl]-3,8-dimethyl-9-oxo-3,7-decadien-1-yl}-1,3,3-trimethylcyclohexyl acetate [ACD/IUPAC Name]
(1S,2S,4S)-4-(β-D-Galactopyranosyloxy)-2-{(3E,6R,7E)-6-hydroxy-10-[(1S,2S)-2-hydroxy-2,6,6-trimethyl-5-oxo-3-cyclohexen-1-yl]-3,8-dimethyl-9-oxo-3,7-decadien-1-yl}-1,3,3-trimethylcyclohexyl-acetat [German] [ACD/IUPAC Name]
2-Cyclohexen-1-one, 5-[(3E,5R,7E)-10-[(1S,3S,6S)-6-(acetyloxy)-3-(β-D-galactopyranosyloxy)-2,2,6-trimethylcyclohexyl]-5-hydroxy-3,8-dimethyl-2-oxo-3,7-decadien-1-yl]-4-hydroxy-4,6,6-trimethyl-, (4S ,5S)- [ACD/Index Name]
Acétate de (1S,2S,4S)-4-(β-D-galactopyranosyloxy)-2-{(3E,6R,7E)-6-hydroxy-10-[(1S,2S)-2-hydroxy-2,6,6-triméthyl-5-oxo-3-cyclohexén-1-yl]-3,8-diméthyl-9-oxo-3,7-décadién-1-yl}-1,3,3-triméthylcyclohe xyle [French] [ACD/IUPAC Name]
pouoside H

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

Density: 1.2±0.1 g/cm3
Boiling Point: 837.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 138.4±6.0 kJ/mol
Flash Point: 248.9±27.8 °C
Index of Refraction: 1.566
Molar Refractivity: 185.8±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 2.57
ACD/LogD (pH 5.5): 2.79
ACD/BCF (pH 5.5): 77.90
ACD/KOC (pH 5.5): 786.28
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 77.90
ACD/KOC (pH 7.4): 786.28
Polar Surface Area: 200 Å2
Polarizability: 73.6±0.5 10-24cm3
Surface Tension: 56.9±5.0 dyne/cm
Molar Volume: 569.7±5.0 cm3

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