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Search term: WBHHUJMFEZNDBL (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3-(4-Methoxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-(3-ethoxy-3-oxopropanoyl)-beta-D-glucopyranoside | C27H28O12

3-(4-Methoxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-(3-ethoxy-3-oxopropanoyl)-β-D-glucopyranoside

  • Molecular FormulaC27H28O12
  • Average mass544.504 Da
  • Monoisotopic mass544.158081 Da
  • ChemSpider ID9436310

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

3-(4-Methoxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-(3-ethoxy-3-oxopropanoyl)-β-D-glucopyranoside [ACD/IUPAC Name]
3-(4-Methoxyphenyl)-4-oxo-4H-chromen-7-yl-6-O-(3-ethoxy-3-oxopropanoyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-(3-Éthoxy-3-oxopropanoyl)-β-D-glucopyranoside de 3-(4-méthoxyphényl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 3-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 6-O-(3-ethoxy-1,3-dioxopropyl)- [ACD/Index Name]
hirsutissimiside A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 731.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.0±3.0 kJ/mol
Flash Point: 242.1±26.4 °C
Index of Refraction: 1.605
Molar Refractivity: 131.8±0.3 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.48
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 12.72
ACD/KOC (pH 5.5): 214.83
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 12.71
ACD/KOC (pH 7.4): 214.81
Polar Surface Area: 167 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 62.8±3.0 dyne/cm
Molar Volume: 382.3±3.0 cm3

Click to predict properties on the Chemicalize site


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