ChemSpider 2D Image | Ethyl {(2R,3R,4S,5S,6S)-2,4-dihydroxy-6-[(2S,3E,5R,6S,11S)-11-hydroxy-5,6-dimethoxy-11-phenyl-3-undecen-2-yl]-3-methoxy-5-methyltetrahydro-2H-pyran-2-yl}acetate | C30H48O9

Ethyl {(2R,3R,4S,5S,6S)-2,4-dihydroxy-6-[(2S,3E,5R,6S,11S)-11-hydroxy-5,6-dimethoxy-11-phenyl-3-undecen-2-yl]-3-methoxy-5-methyltetrahydro-2H-pyran-2-yl}acetate

  • Molecular FormulaC30H48O9
  • Average mass552.697 Da
  • Monoisotopic mass552.329834 Da
  • ChemSpider ID9148880

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

{(2R,3R,4S,5S,6S)-2,4-Dihydroxy-6-[(2S,3E,5R,6S,11S)-11-hydroxy-5,6-diméthoxy-11-phényl-3-undécén-2-yl]-3-méthoxy-5-méthyltétrahydro-2H-pyran-2-yl}acétate d'éthyle [French] [ACD/IUPAC Name]
Ethyl {(2R,3R,4S,5S,6S)-2,4-dihydroxy-6-[(2S,3E,5R,6S,11S)-11-hydroxy-5,6-dimethoxy-11-phenyl-3-undecen-2-yl]-3-methoxy-5-methyltetrahydro-2H-pyran-2-yl}acetate [ACD/IUPAC Name]
Ethyl-{(2R,3R,4S,5S,6S)-2,4-dihydroxy-6-[(2S,3E,5R,6S,11S)-11-hydroxy-5,6-dimethoxy-11-phenyl-3-undecen-2-yl]-3-methoxy-5-methyltetrahydro-2H-pyran-2-yl}acetat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 652.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.1±3.0 kJ/mol
Flash Point: 200.5±25.0 °C
Index of Refraction: 1.534
Molar Refractivity: 149.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 1
ACD/LogP: 3.76
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 391.72
ACD/KOC (pH 5.5): 2498.38
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 391.70
ACD/KOC (pH 7.4): 2498.20
Polar Surface Area: 124 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 47.9±5.0 dyne/cm
Molar Volume: 479.5±5.0 cm3

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