ChemSpider 2D Image | 3-[(6-Deoxy-beta-D-gulopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-4H-chromen-7-yl 6-deoxy-beta-D-allopyranoside | C32H38O14

3-[(6-Deoxy-β-D-gulopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-4H-chromen-7-yl 6-deoxy-β-D-allopyranoside

  • Molecular FormulaC32H38O14
  • Average mass646.636 Da
  • Monoisotopic mass646.226135 Da
  • ChemSpider ID4479305

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

3-[(6-Deoxy-β-D-gulopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-4H-chromen-7-yl 6-deoxy-β-D-allopyranoside [ACD/IUPAC Name]
3-[(6-Desoxy-β-D-gulopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-4H-chromen-7-yl-6-desoxy-β-D-allopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 7-[(6-deoxy-β-D-allopyranosyl)oxy]-3-[(6-deoxy-β-D-gulopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)- [ACD/Index Name]
6-Désoxy-β-D-allopyranoside de 3-[(6-désoxy-β-D-gulopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphényl)-8-(3-méthyl-2-butén-1-yl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
Baohuoside IV

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

Density: 1.6±0.1 g/cm3
Boiling Point: 928.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.5±3.0 kJ/mol
Flash Point: 297.7±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: 3
ACD/LogP: 3.76
ACD/LogD (pH 5.5): 1.48
ACD/BCF (pH 5.5): 7.23
ACD/KOC (pH 5.5): 130.40
ACD/LogD (pH 7.4): 0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.72
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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