Found 13 results

Search term: C27H26O17 (Found by molecular formula)
ChemSpider 2D Image | beta-D-Glucopyranuronosyl 1-C-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]-beta-D-glucopyranosiduronic acid | C27H26O17

β-D-Glucopyranuronosyl 1-C-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]-β-D-glucopyranosiduronic acid

  • Molecular FormulaC27H26O17
  • Average mass622.485 Da
  • Monoisotopic mass622.117004 Da
  • ChemSpider ID103835868

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

Acide 1-C-[5-hydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-7-yl]-β-D-glucopyranosiduronique de β-D-glucopyranuronosyle [French] [ACD/IUPAC Name]
β-D-Glucopyranosiduronic acid, β-D-glucopyranuronosyl 1-C-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl]- [ACD/Index Name]
β-D-Glucopyranuronosyl 1-C-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]-β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
β-D-Glucopyranuronosyl-1-C-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
74696-01-8 [RN]
Apigenin-7-diglucuronide

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

Density: 1.9±0.1 g/cm3
Boiling Point: 1053.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 161.6±3.0 kJ/mol
Flash Point: 348.8±27.8 °C
Index of Refraction: 1.794
Molar Refractivity: 136.9±0.4 cm3
#H bond acceptors: 17
#H bond donors: 10
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 0.07
ACD/LogD (pH 5.5): -5.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 290 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 141.9±5.0 dyne/cm
Molar Volume: 322.1±5.0 cm3

Click to predict properties on the Chemicalize site


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