ChemSpider 2D Image | (1R)-5-(Benzyloxy)-1-{(2R,5S)-5-[(2S,5R,6S)-6-decyl-5-(methoxymethoxy)tetrahydro-2H-pyran-2-yl]tetrahydro-2-furanyl}-1-pentanol | C33H56O6

(1R)-5-(Benzyloxy)-1-{(2R,5S)-5-[(2S,5R,6S)-6-decyl-5-(methoxymethoxy)tetrahydro-2H-pyran-2-yl]tetrahydro-2-furanyl}-1-pentanol

  • Molecular FormulaC33H56O6
  • Average mass548.794 Da
  • Monoisotopic mass548.407715 Da
  • ChemSpider ID9170405

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R)-5-(Benzyloxy)-1-{(2R,5S)-5-[(2S,5R,6S)-6-decyl-5-(methoxymethoxy)tetrahydro-2H-pyran-2-yl]tetrahydro-2-furanyl}-1-pentanol [ACD/IUPAC Name]
(1R)-5-(Benzyloxy)-1-{(2R,5S)-5-[(2S,5R,6S)-6-decyl-5-(methoxymethoxy)tetrahydro-2H-pyran-2-yl]tetrahydro-2-furanyl}-1-pentanol [German] [ACD/IUPAC Name]
(1R)-5-(Benzyloxy)-1-{(2R,5S)-5-[(2S,5R,6S)-6-décyl-5-(méthoxyméthoxy)tétrahydro-2H-pyran-2-yl]tétrahydro-2-furanyl}-1-pentanol [French] [ACD/IUPAC Name]
2-Furanmethanol, 5-[(2S,5R,6S)-6-decyltetrahydro-5-(methoxymethoxy)-2H-pyran-2-yl]tetrahydro-α-[4-(phenylmethoxy)butyl]-, (αR,2R,5S)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 626.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.5±3.0 kJ/mol
Flash Point: 332.6±31.5 °C
Index of Refraction: 1.516
Molar Refractivity: 157.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 2
ACD/LogP: 7.39
ACD/LogD (pH 5.5): 7.93
ACD/BCF (pH 5.5): 622973.88
ACD/KOC (pH 5.5): 488935.88
ACD/LogD (pH 7.4): 7.93
ACD/BCF (pH 7.4): 622973.88
ACD/KOC (pH 7.4): 488935.88
Polar Surface Area: 66 Å2
Polarizability: 62.6±0.5 10-24cm3
Surface Tension: 42.3±5.0 dyne/cm
Molar Volume: 522.7±5.0 cm3

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