ChemSpider 2D Image | (2R,3S,4Z,6R,7S)-6,7-Dihydroxy-2-methyl-10-oxo-3,6,7,8,9,10-hexahydro-2H-oxecin-3-yl (2E)-2-butenoate | C14H20O6

(2R,3S,4Z,6R,7S)-6,7-Dihydroxy-2-methyl-10-oxo-3,6,7,8,9,10-hexahydro-2H-oxecin-3-yl (2E)-2-butenoate

  • Molecular FormulaC14H20O6
  • Average mass284.305 Da
  • Monoisotopic mass284.125977 Da
  • ChemSpider ID50645515

  • 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

(2E)-2-Buténoate de (2R,3S,4Z,6R,7S)-6,7-dihydroxy-2-méthyl-10-oxo-3,6,7,8,9,10-hexahydro-2H-oxécin-3-yle [French] [ACD/IUPAC Name]
(2R,3S,4Z,6R,7S)-6,7-Dihydroxy-2-methyl-10-oxo-3,6,7,8,9,10-hexahydro-2H-oxecin-3-yl (2E)-2-butenoate [ACD/IUPAC Name]
(2R,3S,4Z,6R,7S)-6,7-Dihydroxy-2-methyl-10-oxo-3,6,7,8,9,10-hexahydro-2H-oxecin-3-yl-(2E)-2-butenoat [German] [ACD/IUPAC Name]
2-Butenoic acid, (2R,3S,4Z,6R,7S)-3,6,7,8,9,10-hexahydro-6,7-dihydroxy-2-methyl-10-oxo-2H-oxecin-3-yl ester, (2E)- [ACD/Index Name]
188605-15-4 [RN]
aspinolide B

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

Density: 1.2±0.1 g/cm3
Boiling Point: 461.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 83.3±6.0 kJ/mol
Flash Point: 169.9±22.2 °C
Index of Refraction: 1.529
Molar Refractivity: 71.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.45
ACD/LogD (pH 5.5): 0.48
ACD/BCF (pH 5.5): 1.36
ACD/KOC (pH 5.5): 43.46
ACD/LogD (pH 7.4): 0.48
ACD/BCF (pH 7.4): 1.36
ACD/KOC (pH 7.4): 43.46
Polar Surface Area: 93 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 49.4±5.0 dyne/cm
Molar Volume: 231.4±5.0 cm3

Click to predict properties on the Chemicalize site


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