ChemSpider 2D Image | (4R,5E,7S,10S)-3,4,7,8,9,10-Hexahydro-4,7-dihydroxy-10-nonyl-2H-oxecin-2-one | C18H32O4

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

  • Molecular FormulaC18H32O4
  • Average mass312.444 Da
  • Monoisotopic mass312.230072 Da
  • ChemSpider ID28522727

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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(4R,5E,7S,10S)-3,4,7,8,9,10-Hexahydro-4,7-dihydroxy-10-nonyl-2H-oxecin-2-one
(4R,5E,7S,10S)-4,7-Dihydroxy-10-nonyl-3,4,7,8,9,10-hexahydro-2H-oxecin-2-on [German] [ACD/IUPAC Name]
(4R,5E,7S,10S)-4,7-Dihydroxy-10-nonyl-3,4,7,8,9,10-hexahydro-2H-oxecin-2-one [ACD/IUPAC Name]
(4R,5E,7S,10S)-4,7-Dihydroxy-10-nonyl-3,4,7,8,9,10-hexahydro-2H-oxécin-2-one [French] [ACD/IUPAC Name]
1417445-55-6 [RN]
2H-Oxecin-2-one, 3,4,7,8,9,10-hexahydro-4,7-dihydroxy-10-nonyl-, (4R,5E,7S,10S)- [ACD/Index Name]
seimatopolide B

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

Density: 1.0±0.1 g/cm3
Boiling Point: 494.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 87.8±6.0 kJ/mol
Flash Point: 171.6±22.2 °C
Index of Refraction: 1.487
Molar Refractivity: 87.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.62
ACD/LogD (pH 5.5): 4.46
ACD/BCF (pH 5.5): 1449.19
ACD/KOC (pH 5.5): 6372.83
ACD/LogD (pH 7.4): 4.46
ACD/BCF (pH 7.4): 1449.19
ACD/KOC (pH 7.4): 6372.83
Polar Surface Area: 67 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 38.9±3.0 dyne/cm
Molar Volume: 305.3±3.0 cm3

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