ChemSpider 2D Image | 5,5'-{[(2S,3R,4R,5S)-2,5-Bis(4-hydroxyphenyl)tetrahydrofuran-3,4-diyl]bis[(2R,3R)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4,3-diyl]}di(1,3-benzenediol) | C56H44O13

5,5'-{[(2S,3R,4R,5S)-2,5-Bis(4-hydroxyphenyl)tetrahydrofuran-3,4-diyl]bis[(2R,3R)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4,3-diyl]}di(1,3-benzenediol)

  • Molecular FormulaC56H44O13
  • Average mass924.941 Da
  • Monoisotopic mass924.278198 Da
  • ChemSpider ID28287890

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

1,3-Benzenediol, 5,5'-[[(2S,3R,4R,5S)-tetrahydro-2,5-bis(4-hydroxyphenyl)-3,4-furandiyl]bis[(2R,3R)-2,3-dihydro-6-hydroxy-2-(4-hydroxyphenyl)-4,3-benzofurandiyl]]bis- [ACD/Index Name]
5,5'-{[(2S,3R,4R,5S)-2,5-Bis(4-hydroxyphenyl)tetrahydrofuran-3,4-diyl]bis[(2R,3R)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4,3-diyl]}di(1,3-benzenediol) [ACD/IUPAC Name]
5,5'-{[(2S,3R,4R,5S)-2,5-Bis(4-hydroxyphenyl)tetrahydrofuran-3,4-diyl]bis[(2R,3R)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4,3-diyl]}di(1,3-benzoldiol) [German] [ACD/IUPAC Name]
5,5'-{[(2S,3R,4R,5S)-2,5-Bis(4-hydroxyphényl)tétrahydrofurane-3,4-diyl]bis[(2R,3R)-6-hydroxy-2-(4-hydroxyphényl)-2,3-dihydro-1-benzofurane-4,3-diyl]}di(1,3-benzènediol) [French] [ACD/IUPAC Name]
vateriaphenol F

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.754
Molar Refractivity: 252.8±0.3 cm3
#H bond acceptors: 13
#H bond donors: 10
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 4
ACD/LogP: 6.57
ACD/LogD (pH 5.5): 6.57
ACD/BCF (pH 5.5): 58158.75
ACD/KOC (pH 5.5): 89496.11
ACD/LogD (pH 7.4): 6.57
ACD/BCF (pH 7.4): 57761.65
ACD/KOC (pH 7.4): 88885.05
Polar Surface Area: 230 Å2
Polarizability: 100.2±0.5 10-24cm3
Surface Tension: 82.8±3.0 dyne/cm
Molar Volume: 617.8±3.0 cm3

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