ChemSpider 2D Image | 4-[(1S,3aR,4R,6S,6aS)-6-(Hydroxymethyl)-4-(3,4,5-trimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-1,2-benzenediol | C22H26O8

4-[(1S,3aR,4R,6S,6aS)-6-(Hydroxymethyl)-4-(3,4,5-trimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-1,2-benzenediol

  • Molecular FormulaC22H26O8
  • Average mass418.437 Da
  • Monoisotopic mass418.162781 Da
  • ChemSpider ID28287340

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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1,2-Benzenediol, 4-[(1S,3aR,4R,6S,6aS)-tetrahydro-6-(hydroxymethyl)-4-(3,4,5-trimethoxyphenyl)-1H,3H-furo[3,4-c]furan-1-yl]- [ACD/Index Name]
4-[(1S,3aR,4R,6S,6aS)-6-(Hydroxymethyl)-4-(3,4,5-trimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-1,2-benzenediol [ACD/IUPAC Name]
4-[(1S,3aR,4R,6S,6aS)-6-(Hydroxyméthyl)-4-(3,4,5-triméthoxyphényl)tétrahydro-1H,3H-furo[3,4-c]furan-1-yl]-1,2-benzènediol [French] [ACD/IUPAC Name]
4-[(1S,3aR,4R,6S,6aS)-6-(Hydroxymethyl)-4-(3,4,5-trimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-1,2-benzoldiol [German] [ACD/IUPAC Name]
rayalinol

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

Density: 1.3±0.1 g/cm3
Boiling Point: 619.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.5±3.0 kJ/mol
Flash Point: 328.1±31.5 °C
Index of Refraction: 1.587
Molar Refractivity: 107.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.26
ACD/LogD (pH 5.5): 1.59
ACD/BCF (pH 5.5): 9.45
ACD/KOC (pH 5.5): 173.73
ACD/LogD (pH 7.4): 1.58
ACD/BCF (pH 7.4): 9.34
ACD/KOC (pH 7.4): 171.62
Polar Surface Area: 107 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 53.1±3.0 dyne/cm
Molar Volume: 320.8±3.0 cm3

Click to predict properties on the Chemicalize site


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