ChemSpider 2D Image | Hypholomine B | C26H18O10

Hypholomine B

  • Molecular FormulaC26H18O10
  • Average mass490.415 Da
  • Monoisotopic mass490.089996 Da
  • ChemSpider ID26384083
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2S,3S)-2-(3,4-Dihydroxyphenyl)-6-[(E)-2-(3,4-dihydroxyphenyl)vinyl]-3-(4-hydroxy-2-oxo-2H-pyran-6-yl)-2,3-dihydro-4H-furo[3,2-c]pyran-4-on [German] [ACD/IUPAC Name]
(2S,3S)-2-(3,4-Dihydroxyphenyl)-6-[(E)-2-(3,4-dihydroxyphenyl)vinyl]-3-(4-hydroxy-2-oxo-2H-pyran-6-yl)-2,3-dihydro-4H-furo[3,2-c]pyran-4-one [ACD/IUPAC Name]
(2S,3S)-2-(3,4-Dihydroxyphényl)-6-[(E)-2-(3,4-dihydroxyphényl)vinyl]-3-(4-hydroxy-2-oxo-2H-pyran-6-yl)-2,3-dihydro-4H-furo[3,2-c]pyran-4-one [French] [ACD/IUPAC Name]
4H-Furo[3,2-c]pyran-4-one, 2-(3,4-dihydroxyphenyl)-6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-2,3-dihydro-3-(4-hydroxy-2-oxo-2H-pyran-6-yl)-, (2S,3S)- [ACD/Index Name]
Hypholomine B [Wiki]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 821.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.1±3.0 kJ/mol
Flash Point: 284.1±27.8 °C
Index of Refraction: 1.797
Molar Refractivity: 121.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 0.48
ACD/LogD (pH 5.5): 0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.22
ACD/LogD (pH 7.4): -1.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 163 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 105.5±5.0 dyne/cm
Molar Volume: 285.4±5.0 cm3

Click to predict properties on the Chemicalize site





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