ChemSpider 2D Image | pouoside I | C40H62O11

pouoside I

  • Molecular FormulaC40H62O11
  • Average mass718.914 Da
  • Monoisotopic mass718.429199 Da
  • ChemSpider ID28478131

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2S,3E,5R,7E)-10-[(1R,3S)-3-(β-D-Galactopyranosyloxy)-2,2-dimethyl-6-methylencyclohexyl]-3,8-dimethyl-1-[(1R)-2,6,6-trimethyl-5-oxo-2-cyclohexen-1-yl]-3,7-decadien-2,5-diyl-diacetat [German] [ACD/IUPAC Name]
(2S,3E,5R,7E)-10-[(1R,3S)-3-(β-D-Galactopyranosyloxy)-2,2-dimethyl-6-methylenecyclohexyl]-3,8-dimethyl-1-[(1R)-2,6,6-trimethyl-5-oxo-2-cyclohexen-1-yl]-3,7-decadiene-2,5-diyl diacetate [ACD/IUPAC Name]
3-Cyclohexen-1-one, 5-[(2S,3E,5R,7E)-2,5-bis(acetyloxy)-10-[(1R,3S)-3-(β-D-galactopyranosyloxy)-2,2-dimethyl-6-methylenecyclohexyl]-3,8-dimethyl-3,7-decadien-1-yl]-4,6,6-trimethyl-, (5R)- [ACD/Index Name]
Diacétate de (2S,3E,5R,7E)-10-[(1R,3S)-3-(β-D-galactopyranosyloxy)-2,2-diméthyl-6-méthylènecyclohexyl]-3,8-diméthyl-1-[(1R)-2,6,6-triméthyl-5-oxo-2-cyclohexén-1-yl]-3,7-décadiène-2,5-diyle [French] [ACD/IUPAC Name]
pouoside I

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

Density: 1.2±0.1 g/cm3
Boiling Point: 795.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 131.9±6.0 kJ/mol
Flash Point: 231.6±26.4 °C
Index of Refraction: 1.548
Molar Refractivity: 193.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 5.89
ACD/LogD (pH 5.5): 5.49
ACD/BCF (pH 5.5): 8765.82
ACD/KOC (pH 5.5): 23112.19
ACD/LogD (pH 7.4): 5.49
ACD/BCF (pH 7.4): 8765.76
ACD/KOC (pH 7.4): 23112.04
Polar Surface Area: 169 Å2
Polarizability: 76.5±0.5 10-24cm3
Surface Tension: 50.2±5.0 dyne/cm
Molar Volume: 608.0±5.0 cm3

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