ChemSpider 2D Image | Typhaneoside | C34H42O20

Typhaneoside

  • Molecular FormulaC34H42O20
  • Average mass770.685 Da
  • Monoisotopic mass770.226929 Da
  • ChemSpider ID24534078
  • defined stereocentres - 15 of 15 defined stereocentres


More details:






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

104472-68-6 [RN]
4H-1-Benzopyran-4-one, 3-[[O-6-deoxy-α-L-mannopyranosyl-(1->2)-O-6-deoxy-α-L-mannopyranosyl-(1->6)-β-D-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-L-mannopyranosyl-(1->2)-6-deoxy-α-L-mannopyranosyl-(1->6)-β-D-glucopyranoside [ACD/IUPAC Name]
5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl-6-desoxy-α-L-mannopyranosyl-(1->2)-6-desoxy-α-L-mannopyranosyl-(1->6)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-α-L-mannopyranosyl-(1->2)-6-désoxy-α-L-mannopyranosyl-(1->6)-β-D-glucopyranoside de 5,7-dihydroxy-2-(4-hydroxy-3-méthoxyphényl)-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
Typhaneoside
[104472-68-6] [RN]
175089-93-7 [RN]
3-(((2S,3R,4S,5S,6R)-4,5-Dihydroxy-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-6-((((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one
3-((O-6-Deoxy-α-L-mannopyranosyl-(1-2)-O-(6-deoxy-α-L-mannopyranosyl-(1-6))-β-D-glucopyranosyl)oxy)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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: 2.18
ACD/LogD (pH 5.5): -0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.28
ACD/LogD (pH 7.4): -1.69
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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