ChemSpider 2D Image | 5,7-Dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-4H-chromen-3-yl 6-deoxy-4-O-(6-deoxy-beta-D-allopyranosyl)-beta-D-gulopyranoside | C32H38O14

5,7-Dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-4H-chromen-3-yl 6-deoxy-4-O-(6-deoxy-β-D-allopyranosyl)-β-D-gulopyranoside

  • Molecular FormulaC32H38O14
  • Average mass646.636 Da
  • Monoisotopic mass646.226135 Da
  • ChemSpider ID4885259

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 3-[[6-deoxy-4-O-(6-deoxy-β-D-allopyranosyl)-β-D-gulopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)- [ACD/Index Name]
5,7-Dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-4H-chromen-3-yl 6-deoxy-4-O-(6-deoxy-β-D-allopyranosyl)-β-D-gulopyranoside [ACD/IUPAC Name]
5,7-Dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-4H-chromen-3-yl-6-desoxy-4-O-(6-desoxy-β-D-allopyranosyl)-β-D-gulopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-4-O-(6-désoxy-β-D-allopyranosyl)-β-D-gulopyranoside de 5,7-dihydroxy-2-(4-hydroxyphényl)-8-(3-méthyl-2-butén-1-yl)-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
Baohuoside III

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

Density: 1.6±0.1 g/cm3
Boiling Point: 913.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.1±3.0 kJ/mol
Flash Point: 292.5±27.8 °C
Index of Refraction: 1.690
Molar Refractivity: 157.9±0.4 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 4
ACD/LogP: 5.04
ACD/LogD (pH 5.5): 2.44
ACD/BCF (pH 5.5): 40.50
ACD/KOC (pH 5.5): 469.02
ACD/LogD (pH 7.4): 1.24
ACD/BCF (pH 7.4): 2.53
ACD/KOC (pH 7.4): 29.27
Polar Surface Area: 225 Å2
Polarizability: 62.6±0.5 10-24cm3
Surface Tension: 88.8±5.0 dyne/cm
Molar Volume: 413.1±5.0 cm3

Click to predict properties on the Chemicalize site


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