ChemSpider 2D Image | 2-[4-(beta-D-Glucopyranosyloxy)phenyl]-5-hydroxy-7-methoxy-4-oxo-4H-chromen-3-yl beta-D-allopyranoside | C28H32O16

2-[4-(β-D-Glucopyranosyloxy)phenyl]-5-hydroxy-7-methoxy-4-oxo-4H-chromen-3-yl β-D-allopyranoside

  • Molecular FormulaC28H32O16
  • Average mass624.544 Da
  • Monoisotopic mass624.169006 Da
  • ChemSpider ID4590971

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

2-[4-(β-D-Glucopyranosyloxy)phenyl]-5-hydroxy-7-methoxy-4-oxo-4H-chromen-3-yl β-D-allopyranoside [ACD/IUPAC Name]
2-[4-(β-D-Glucopyranosyloxy)phenyl]-5-hydroxy-7-methoxy-4-oxo-4H-chromen-3-yl-β-D-allopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-(β-D-allopyranosyloxy)-2-[4-(β-D-glucopyranosyloxy)phenyl]-5-hydroxy-7-methoxy- [ACD/Index Name]
β-D-Allopyranoside de 2-[4-(β-D-glucopyranosyloxy)phényl]-5-hydroxy-7-méthoxy-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
116183-66-5 [RN]
4H-1-Benzopyran-4-one, 3-(β-D-glucopyranosyloxy)-2-(4-(β-D-glucopyranosyloxy)phenyl)-5-hydroxy-7-methoxy-
Complanatuside
Rhamnocitrin-3,4'-O-diglucoside

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

Density: 1.7±0.1 g/cm3
Boiling Point: 975.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 148.8±3.0 kJ/mol
Flash Point: 320.2±27.8 °C
Index of Refraction: 1.727
Molar Refractivity: 143.0±0.4 cm3
#H bond acceptors: 16
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -0.13
ACD/LogD (pH 5.5): -0.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.68
ACD/LogD (pH 7.4): -2.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 255 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 109.7±5.0 dyne/cm
Molar Volume: 359.4±5.0 cm3

Click to predict properties on the Chemicalize site


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