ChemSpider 2D Image | (5R,6R,7E,10S)-5,6-Bis(benzyloxy)-10-[(1S)-1-(benzyloxy)heptyl]-3,4,5,6,9,10-hexahydro-2H-oxecin-2-one | C37H46O5

(5R,6R,7E,10S)-5,6-Bis(benzyloxy)-10-[(1S)-1-(benzyloxy)heptyl]-3,4,5,6,9,10-hexahydro-2H-oxecin-2-one

  • Molecular FormulaC37H46O5
  • Average mass570.758 Da
  • Monoisotopic mass570.334534 Da
  • ChemSpider ID9664820

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(5R,6R,7E,10S)-5,6-Bis(benzyloxy)-10-[(1S)-1-(benzyloxy)heptyl]-3,4,5,6,9,10-hexahydro-2H-oxecin-2-on [German] [ACD/IUPAC Name]
(5R,6R,7E,10S)-5,6-Bis(benzyloxy)-10-[(1S)-1-(benzyloxy)heptyl]-3,4,5,6,9,10-hexahydro-2H-oxecin-2-one [ACD/IUPAC Name]
(5R,6R,7E,10S)-5,6-Bis(benzyloxy)-10-[(1S)-1-(benzyloxy)heptyl]-3,4,5,6,9,10-hexahydro-2H-oxécin-2-one [French] [ACD/IUPAC Name]
2H-Oxecin-2-one, 3,4,5,6,9,10-hexahydro-5,6-bis(phenylmethoxy)-10-[(1S)-1-(phenylmethoxy)heptyl]-, (5R,6R,7E,10S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 686.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.7±3.0 kJ/mol
Flash Point: 281.7±31.5 °C
Index of Refraction: 1.570
Molar Refractivity: 169.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 8.98
ACD/LogD (pH 5.5): 8.86
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1567070.00
ACD/LogD (pH 7.4): 8.86
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1567070.00
Polar Surface Area: 54 Å2
Polarizability: 67.0±0.5 10-24cm3
Surface Tension: 47.1±5.0 dyne/cm
Molar Volume: 515.1±5.0 cm3

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