ChemSpider 2D Image | 7-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-3-yl methyl 2-O-(6-methylhexopyranuronosyl)hexopyranosiduronate | C29H32O17

7-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-3-yl methyl 2-O-(6-methylhexopyranuronosyl)hexopyranosiduronate

  • Molecular FormulaC29H32O17
  • Average mass652.554 Da
  • Monoisotopic mass652.163940 Da
  • ChemSpider ID166129

More details:

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

4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-3-[[6-methyl-2-O-(6-methylhexopyranuronosyl)hexopyranuronosyl]oxy]- [ACD/Index Name]
7-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-3-yl methyl 2-O-(6-methylhexopyranuronosyl)hexopyranosiduronate [ACD/IUPAC Name]
7-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-3-yl-methyl-2-O-(6-methylhexopyranuronosyl)hexopyranosiduronat [German] [ACD/IUPAC Name]
137 L
137-L
53923-02-7 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 914.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.3±3.0 kJ/mol
Flash Point: 297.1±27.8 °C
Index of Refraction: 1.680
Molar Refractivity: 147.1±0.4 cm3
#H bond acceptors: 17
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 4.66
ACD/LogD (pH 5.5): 1.57
ACD/BCF (pH 5.5): 9.11
ACD/KOC (pH 5.5): 168.86
ACD/LogD (pH 7.4): 1.34
ACD/BCF (pH 7.4): 5.41
ACD/KOC (pH 7.4): 100.13
Polar Surface Area: 257 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 95.9±5.0 dyne/cm
Molar Volume: 389.1±5.0 cm3

Click to predict properties on the Chemicalize site


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