ChemSpider 2D Image | 5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-D-mannopyranosyl-(1->2)-[6-deoxy-alpha-D-mannopyranosyl-(1->6)]-L-glucopyranoside | C34H42O20

5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl 6-deoxy-α-D-mannopyranosyl-(1->2)-[6-deoxy-α-D-mannopyranosyl-(1->6)]-L-glucopyranoside

  • Molecular FormulaC34H42O20
  • Average mass770.685 Da
  • Monoisotopic mass770.226929 Da
  • ChemSpider ID35518879

  • defined stereocentres - 14 of 15 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 3-[[O-6-deoxy-α-D-mannopyranosyl-(1->2)-O-[6-deoxy-α-D-mannopyranosyl-(1->6)]-L-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)- [ACD/Index Name]
5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl 6-deoxy-α-D-mannopyranosyl-(1->2)-[6-deoxy-α-D-mannopyranosyl-(1->6)]-L-glucopyranoside [ACD/IUPAC Name]
5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl-6-desoxy-α-D-mannopyranosyl-(1->2)-[6-desoxy-α-D-mannopyranosyl-(1->6)]-L-glucopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-α-D-mannopyranosyl-(1->2)-[6-désoxy-α-D-mannopyranosyl-(1->6)]-L-glucopyranoside de 5,7-dihydroxy-2-(4-hydroxy-3-méthoxyphényl)-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
104472-68-6 [RN]
Typhaneoside

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1065.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 163.5±3.0 kJ/mol
Flash Point: 332.6±27.8 °C
Index of Refraction: 1.716
Molar Refractivity: 175.2±0.4 cm3
#H bond acceptors: 20
#H bond donors: 11
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 2.27
ACD/LogD (pH 5.5): -0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.89
ACD/LogD (pH 7.4): -1.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 313 Å2
Polarizability: 69.5±0.5 10-24cm3
Surface Tension: 108.4±5.0 dyne/cm
Molar Volume: 445.3±5.0 cm3

Click to predict properties on the Chemicalize site


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