ChemSpider 2D Image | GNETIN H | C42H32O9

GNETIN H

  • Molecular FormulaC42H32O9
  • Average mass680.698 Da
  • Monoisotopic mass680.204651 Da
  • ChemSpider ID8028642

  • 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

1,3-Benzenediol, 5,5'-[(2S,3S,5S,6S)-2,3,5,6-tetrahydro-2,6-bis(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]benzo[1,2-b:5,4-b']difuran-3,5-diyl]bis- [ACD/Index Name]
105132-92-1 [RN]
2RXU4J2Z19
5,5'-{(2S,3S,5S,6S)-2,6-Bis(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)vinyl]-2,3,5,6-tetrahydrofuro[3,2-f][1]benzofuran-3,5-diyl}di(1,3-benzenediol) [ACD/IUPAC Name]
5,5'-{(2S,3S,5S,6S)-2,6-Bis(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)vinyl]-2,3,5,6-tetrahydrofuro[3,2-f][1]benzofuran-3,5-diyl}di(1,3-benzoldiol) [German] [ACD/IUPAC Name]
5,5'-{(2S,3S,5S,6S)-2,6-Bis(4-hydroxyphényl)-4-[(E)-2-(4-hydroxyphényl)vinyl]-2,3,5,6-tétrahydrofuro[3,2-f][1]benzofurane-3,5-diyl}di(1,3-benzènediol) [French] [ACD/IUPAC Name]
GNETIN H
5-[(2S,3S,5S,6S)-3-(3,5-dihydroxyphenyl)-2,6-bis(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3,5,6-tetrahydrofuro[3,2-f][1]benzofuran-5-yl]benzene-1,3-diol
5-[(2S,3S,5S,6S)-3-(3,5-dihydroxyphenyl)-2,6-bis(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3,5,6-tetrahydrofuro[4,5-f][1]benzoxol-5-yl]benzene-1,3-diol
5-[(2S,3S,5S,6S)-3-(3,5-dihydroxyphenyl)-2,6-bis(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)vinyl]-2,3,5,6-tetrahydrofuro[4,5-f]benzofuran-5-yl]benzene-1,3-diol
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 850.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 127.7±3.0 kJ/mol
Flash Point: 467.8±34.3 °C
Index of Refraction: 1.783
Molar Refractivity: 192.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 5.72
ACD/LogD (pH 5.5): 5.66
ACD/BCF (pH 5.5): 11802.49
ACD/KOC (pH 5.5): 28592.03
ACD/LogD (pH 7.4): 5.64
ACD/BCF (pH 7.4): 11345.42
ACD/KOC (pH 7.4): 27484.74
Polar Surface Area: 160 Å2
Polarizability: 76.5±0.5 10-24cm3
Surface Tension: 82.5±3.0 dyne/cm
Molar Volume: 458.7±3.0 cm3

Click to predict properties on the Chemicalize site


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