ChemSpider 2D Image | Methyl (6R)-6-[(benzyloxy)methoxy]-6-{(2S,5S)-5-[(1R)-1-hydroxytridecyl]tetrahydro-2-furanyl}hexanoate | C32H54O6

Methyl (6R)-6-[(benzyloxy)methoxy]-6-{(2S,5S)-5-[(1R)-1-hydroxytridecyl]tetrahydro-2-furanyl}hexanoate

  • Molecular FormulaC32H54O6
  • Average mass534.768 Da
  • Monoisotopic mass534.392029 Da
  • ChemSpider ID9975140

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(6R)-6-[(Benzyloxy)méthoxy]-6-{(2S,5S)-5-[(1R)-1-hydroxytridécyl]tétrahydro-2-furanyl}hexanoate de méthyle [French] [ACD/IUPAC Name]
2-Furanhexanoic acid, tetrahydro-5-[(1R)-1-hydroxytridecyl]-ε-[(phenylmethoxy)methoxy]-, methyl ester, (εR,2S,5S)- [ACD/Index Name]
Methyl (6R)-6-[(benzyloxy)methoxy]-6-{(2S,5S)-5-[(1R)-1-hydroxytridecyl]tetrahydro-2-furanyl}hexanoate [ACD/IUPAC Name]
Methyl-(6R)-6-[(benzyloxy)methoxy]-6-{(2S,5S)-5-[(1R)-1-hydroxytridecyl]tetrahydro-2-furanyl}hexanoat [German] [ACD/IUPAC 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: 613.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.8±3.0 kJ/mol
Flash Point: 183.0±22.2 °C
Index of Refraction: 1.498
Molar Refractivity: 153.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 2
ACD/LogP: 8.59
ACD/LogD (pH 5.5): 8.82
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1495533.38
ACD/LogD (pH 7.4): 8.82
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1495533.38
Polar Surface Area: 74 Å2
Polarizability: 60.7±0.5 10-24cm3
Surface Tension: 39.7±3.0 dyne/cm
Molar Volume: 522.5±3.0 cm3

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