ChemSpider 2D Image | 5-{(2S,4S,6S)-6-[2-(3,4-Dihydroxyphenyl)ethyl]-4-hydroxytetrahydro-2H-pyran-2-yl}-3-methoxy-1,2-benzenediol | C20H24O7

5-{(2S,4S,6S)-6-[2-(3,4-Dihydroxyphenyl)ethyl]-4-hydroxytetrahydro-2H-pyran-2-yl}-3-methoxy-1,2-benzenediol

  • Molecular FormulaC20H24O7
  • Average mass376.400 Da
  • Monoisotopic mass376.152191 Da
  • ChemSpider ID23314392

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1,2-Benzenediol, 5-[(2S,4S,6S)-6-[2-(3,4-dihydroxyphenyl)ethyl]tetrahydro-4-hydroxy-2H-pyran-2-yl]-3-methoxy- [ACD/Index Name]
5-{(2S,4S,6S)-6-[2-(3,4-Dihydroxyphenyl)ethyl]-4-hydroxytetrahydro-2H-pyran-2-yl}-3-methoxy-1,2-benzenediol [ACD/IUPAC Name]
5-{(2S,4S,6S)-6-[2-(3,4-Dihydroxyphényl)éthyl]-4-hydroxytétrahydro-2H-pyran-2-yl}-3-méthoxy-1,2-benzènediol [French] [ACD/IUPAC Name]
5-{(2S,4S,6S)-6-[2-(3,4-Dihydroxyphenyl)ethyl]-4-hydroxytetrahydro-2H-pyran-2-yl}-3-methoxy-1,2-benzoldiol [German] [ACD/IUPAC Name]
5-{(2S,4S,6S)-6-[2-(3,4-dihydroxyphenyl)ethyl]-4-hydroxytetrahydro-2H-pyran-2-yl}-3-methoxybenzene-1,2-diol
1,5-epoxy-3-hydroxy-1-(4,5-dihydroxy-3-methoxyphenyl)-7-(3,4-dihydroxyphenyl)heptane

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

Density: 1.4±0.1 g/cm3
Boiling Point: 661.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.2±3.0 kJ/mol
Flash Point: 353.8±31.5 °C
Index of Refraction: 1.638
Molar Refractivity: 98.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.19
ACD/LogD (pH 5.5): 1.54
ACD/BCF (pH 5.5): 8.67
ACD/KOC (pH 5.5): 163.34
ACD/LogD (pH 7.4): 1.53
ACD/BCF (pH 7.4): 8.46
ACD/KOC (pH 7.4): 159.31
Polar Surface Area: 120 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 64.3±3.0 dyne/cm
Molar Volume: 274.7±3.0 cm3

Click to predict properties on the Chemicalize site


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