ChemSpider 2D Image | (3Z)-5-Hydroxy-4-(4-hydroxyphenyl)-2-oxo-5,6-dihydro-2H-1-benzoxocin-9-yl beta-D-glucopyranoside | C23H24O10

(3Z)-5-Hydroxy-4-(4-hydroxyphenyl)-2-oxo-5,6-dihydro-2H-1-benzoxocin-9-yl β-D-glucopyranoside

  • Molecular FormulaC23H24O10
  • Average mass460.431 Da
  • Monoisotopic mass460.136932 Da
  • ChemSpider ID82827013

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(3Z)-5-Hydroxy-4-(4-hydroxyphenyl)-2-oxo-5,6-dihydro-2H-1-benzoxocin-9-yl β-D-glucopyranoside [ACD/IUPAC Name]
(3Z)-5-Hydroxy-4-(4-hydroxyphenyl)-2-oxo-5,6-dihydro-2H-1-benzoxocin-9-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2H-1-Benzoxocin-2-one, 9-(β-D-glucopyranosyloxy)-5,6-dihydro-5-hydroxy-4-(4-hydroxyphenyl)-, (3Z)- [ACD/Index Name]
β-D-Glucopyranoside de (3Z)-5-hydroxy-4-(4-hydroxyphényl)-2-oxo-5,6-dihydro-2H-1-benzoxocin-9-yle [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 783.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.6±3.0 kJ/mol
Flash Point: 272.8±26.4 °C
Index of Refraction: 1.682
Molar Refractivity: 112.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 0.15
ACD/LogD (pH 5.5): 0.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 28.88
ACD/LogD (pH 7.4): 0.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 28.84
Polar Surface Area: 166 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 81.8±3.0 dyne/cm
Molar Volume: 297.2±3.0 cm3

Click to predict properties on the Chemicalize site


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