ChemSpider 2D Image | (1S)-1,5-Anhydro-1-{2,4,6-trihydroxy-3-[3-(4-hydroxyphenyl)propanoyl]phenyl}-D-threo-hexitol | C21H24O10

(1S)-1,5-Anhydro-1-{2,4,6-trihydroxy-3-[3-(4-hydroxyphenyl)propanoyl]phenyl}-D-threo-hexitol

  • Molecular FormulaC21H24O10
  • Average mass436.409 Da
  • Monoisotopic mass436.136932 Da
  • ChemSpider ID24846088

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

(1S)-1,5-Anhydro-1-{2,4,6-trihydroxy-3-[3-(4-hydroxyphenyl)propanoyl]phenyl}-D-threo-hexitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-{2,4,6-trihydroxy-3-[3-(4-hydroxyphenyl)propanoyl]phenyl}-D-threo-hexitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-{2,4,6-trihydroxy-3-[3-(4-hydroxyphényl)propanoyl]phényl}-D-thréo-hexitol [French] [ACD/IUPAC Name]
D-threo-Hexitol, 1,5-anhydro-1-C-[2,4,6-trihydroxy-3-[3-(4-hydroxyphenyl)-1-oxopropyl]phenyl]-, (1S)- [ACD/Index Name]
Nothofagin

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

Density: 1.6±0.1 g/cm3
Boiling Point: 711.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.2±3.0 kJ/mol
Flash Point: 249.4±26.4 °C
Index of Refraction: 1.709
Molar Refractivity: 106.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 8
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 2.68
ACD/LogD (pH 5.5): 1.48
ACD/BCF (pH 5.5): 7.75
ACD/KOC (pH 5.5): 148.65
ACD/LogD (pH 7.4): 0.75
ACD/BCF (pH 7.4): 1.44
ACD/KOC (pH 7.4): 27.66
Polar Surface Area: 188 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 87.3±3.0 dyne/cm
Molar Volume: 273.7±3.0 cm3

Click to predict properties on the Chemicalize site


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