ChemSpider 2D Image | (3Z,3aS,8aR)-3a,4-Dihydroxy-3-{[(4-hydroxy-5-oxo-2,5-dihydro-2-furanyl)oxy]methylene}-5-methoxy-3,3a,8,8a-tetrahydro-2H-indeno[2,1-b]furan-2-one | C17H14O9

(3Z,3aS,8aR)-3a,4-Dihydroxy-3-{[(4-hydroxy-5-oxo-2,5-dihydro-2-furanyl)oxy]methylene}-5-methoxy-3,3a,8,8a-tetrahydro-2H-indeno[2,1-b]furan-2-one

  • Molecular FormulaC17H14O9
  • Average mass362.288 Da
  • Monoisotopic mass362.063782 Da
  • ChemSpider ID28287140

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 3 defined stereocentres

More details:

Featured data source
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3Z,3aS,8aR)-3a,4-Dihydroxy-3-{[(4-hydroxy-5-oxo-2,5-dihydro-2-furanyl)oxy]methylen}-5-methoxy-3,3a,8,8a-tetrahydro-2H-indeno[2,1-b]furan-2-on [German] [ACD/IUPAC Name]
(3Z,3aS,8aR)-3a,4-Dihydroxy-3-{[(4-hydroxy-5-oxo-2,5-dihydro-2-furanyl)oxy]methylene}-5-methoxy-3,3a,8,8a-tetrahydro-2H-indeno[2,1-b]furan-2-one [ACD/IUPAC Name]
(3Z,3aS,8aR)-3a,4-Dihydroxy-3-{[(4-hydroxy-5-oxo-2,5-dihydro-2-furanyl)oxy]méthylène}-5-méthoxy-3,3a,8,8a-tétrahydro-2H-indéno[2,1-b]furan-2-one [French] [ACD/IUPAC Name]
2H-Indeno[2,1-b]furan-2-one, 3-[[(2,5-dihydro-4-hydroxy-5-oxo-2-furanyl)oxy]methylene]-3,3a,8,8a-tetrahydro-3a,4-dihydroxy-5-methoxy-, (3Z,3aS,8aR)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 756.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.1±3.0 kJ/mol
Flash Point: 282.4±26.4 °C
Index of Refraction: 1.711
Molar Refractivity: 82.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -2.06
ACD/LogD (pH 5.5): -1.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.88
ACD/LogD (pH 7.4): -1.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.34
Polar Surface Area: 132 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 91.4±5.0 dyne/cm
Molar Volume: 211.3±5.0 cm3

Click to predict properties on the Chemicalize site


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