ChemSpider 2D Image | Herpetin | C30H34O9

Herpetin

  • Molecular FormulaC30H34O9
  • Average mass538.586 Da
  • Monoisotopic mass538.220276 Da
  • ChemSpider ID13165986

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

3-Benzofuranmethanol, 2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-4-methoxy-6-[[(3S,4S,5R)-tetrahydro-5-(3-hydroxy-4-methoxyphenyl)-4-(hydroxymethyl)-3-furanyl]methyl]-, (2S,3R)- [ACD/Index Name]
4-[(2S,3R)-6-{[(3S,4S,5R)-5-(3-Hydroxy-4-methoxyphenyl)-4-(hydroxymethyl)tetrahydro-3-furanyl]methyl}-3-(hydroxymethyl)-4-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenol [ACD/IUPAC Name]
4-[(2S,3R)-6-{[(3S,4S,5R)-5-(3-Hydroxy-4-methoxyphenyl)-4-(hydroxymethyl)tetrahydro-3-furanyl]methyl}-3-(hydroxymethyl)-4-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenol [German] [ACD/IUPAC Name]
4-[(2S,3R)-6-{[(3S,4S,5R)-5-(3-Hydroxy-4-méthoxyphényl)-4-(hydroxyméthyl)tétrahydro-3-furanyl]méthyl}-3-(hydroxyméthyl)-4-méthoxy-2,3-dihydro-1-benzofuran-2-yl]-2-méthoxyphénol [French] [ACD/IUPAC Name]
911052-87-4 [RN]
Herpetin

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

Density: 1.3±0.1 g/cm3
Boiling Point: 721.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.7±3.0 kJ/mol
Flash Point: 390.4±32.9 °C
Index of Refraction: 1.613
Molar Refractivity: 143.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.46
ACD/LogD (pH 5.5): 2.73
ACD/BCF (pH 5.5): 70.41
ACD/KOC (pH 5.5): 731.34
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 69.84
ACD/KOC (pH 7.4): 725.43
Polar Surface Area: 127 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 57.4±3.0 dyne/cm
Molar Volume: 412.6±3.0 cm3

Click to predict properties on the Chemicalize site


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