ChemSpider 2D Image | 4-[8-(beta-D-Glucopyranosyloxy)-5,7-dihydroxy-4-oxo-4H-chromen-2-yl]phenyl beta-D-glucopyranoside | C27H30O16

4-[8-(β-D-Glucopyranosyloxy)-5,7-dihydroxy-4-oxo-4H-chromen-2-yl]phenyl β-D-glucopyranoside

  • Molecular FormulaC27H30O16
  • Average mass610.518 Da
  • Monoisotopic mass610.153381 Da
  • ChemSpider ID4589881
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

4-[8-(β-D-Glucopyranosyloxy)-5,7-dihydroxy-4-oxo-4H-chromen-2-yl]phenyl β-D-glucopyranoside [ACD/IUPAC Name]
4-[8-(β-D-Glucopyranosyloxy)-5,7-dihydroxy-4-oxo-4H-chromen-2-yl]phenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 8-(β-D-glucopyranosyloxy)-2-[4-(β-D-glucopyranosyloxy)phenyl]-5,7-dihydroxy- [ACD/Index Name]
β-D-Glucopyranoside de 4-[8-(β-D-glucopyranosyloxy)-5,7-dihydroxy-4-oxo-4H-chromén-2-yl]phényle [French] [ACD/IUPAC Name]
4-[8-(b-D-Glucopyranosyloxy)-5,7-dihydroxy-4-oxo-4H-chromen-2-yl]phenyl b-D-glucopyranoside
4H-1-Benzopyran-4-one, 8-(β-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-, mono-β-D-glucopyranoside
5,7-dihydroxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
5,7-DIHYDROXY-8-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-2-(4-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}PHENYL)CHROMEN-4-ONE
76135-82-5 [RN]
958822-04-3 [RN]
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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: 978.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 149.4±3.0 kJ/mol
Flash Point: 323.9±27.8 °C
Index of Refraction: 1.727
Molar Refractivity: 139.4±0.3 cm3
#H bond acceptors: 16
#H bond donors: 10
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -3.40
ACD/LogD (pH 5.5): -2.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 266 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 105.1±3.0 dyne/cm
Molar Volume: 350.3±3.0 cm3

Click to predict properties on the Chemicalize site






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