ChemSpider 2D Image | (4R,5E,7R,8R,10S)-4,7,8-Trihydroxy-10-nonyl-3,4,7,8,9,10-hexahydro-2H-oxecin-2-one | C18H32O5

(4R,5E,7R,8R,10S)-4,7,8-Trihydroxy-10-nonyl-3,4,7,8,9,10-hexahydro-2H-oxecin-2-one

  • Molecular FormulaC18H32O5
  • Average mass328.444 Da
  • Monoisotopic mass328.224976 Da
  • ChemSpider ID28522726
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres


More details:



Featured data source



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

(4R,5E,7R,8R,10S)-4,7,8-Trihydroxy-10-nonyl-3,4,7,8,9,10-hexahydro-2H-oxecin-2-on [German] [ACD/IUPAC Name]
(4R,5E,7R,8R,10S)-4,7,8-Trihydroxy-10-nonyl-3,4,7,8,9,10-hexahydro-2H-oxecin-2-one [ACD/IUPAC Name]
(4R,5E,7R,8R,10S)-4,7,8-Trihydroxy-10-nonyl-3,4,7,8,9,10-hexahydro-2H-oxécin-2-one [French] [ACD/IUPAC Name]
2H-Oxecin-2-one, 3,4,7,8,9,10-hexahydro-4,7,8-trihydroxy-10-nonyl-, (4R,5E,7R,8R,10S)- [ACD/Index Name]
(+)-seimatopolide A
seimatopolide A

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 513.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.3±6.0 kJ/mol
Flash Point: 177.9±23.6 °C
Index of Refraction: 1.503
Molar Refractivity: 89.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 3.60
ACD/BCF (pH 5.5): 323.00
ACD/KOC (pH 5.5): 2176.16
ACD/LogD (pH 7.4): 3.60
ACD/BCF (pH 7.4): 323.00
ACD/KOC (pH 7.4): 2176.15
Polar Surface Area: 87 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 43.8±3.0 dyne/cm
Molar Volume: 302.3±3.0 cm3

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