ChemSpider 2D Image | 8-β-D-Glucopyranosyl-3-[4-(β-D-glucopyranosyloxy)phenyl]-7-hydroxy-4H-1-benzopyran-4-one | C27H30O14

8-β-D-Glucopyranosyl-3-[4-(β-D-glucopyranosyloxy)phenyl]-7-hydroxy-4H-1-benzopyran-4-one

  • Molecular FormulaC27H30O14
  • Average mass578.519 Da
  • Monoisotopic mass578.163574 Da
  • ChemSpider ID82964041

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1S)-1,5-Anhydro-1-{3-[4-(β-D-glucopyranosyloxy)phenyl]-7-hydroxy-4-oxo-4H-chromen-8-yl}-D-glucitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-{3-[4-(β-D-glucopyranosyloxy)phenyl]-7-hydroxy-4-oxo-4H-chromen-8-yl}-D-glucitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-{3-[4-(β-D-glucopyranosyloxy)phényl]-7-hydroxy-4-oxo-4H-chromén-8-yl}-D-glucitol [French] [ACD/IUPAC Name]
117047-08-2 [RN]
8-β-D-Glucopyranosyl-3-[4-(β-D-glucopyranosyloxy)phenyl]-7-hydroxy-4H-1-benzopyran-4-one
D-Glucitol, 1,5-anhydro-1-C-[3-[4-(β-D-glucopyranosyloxy)phenyl]-7-hydroxy-4-oxo-4H-1-benzopyran-8-yl]-, (1S)- [ACD/Index Name]
7-hydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
Puerarin 4'-O-glucoside
Puerarin-4'-O-??-D-glucopyranoside
Puerarin4'-O-glucoside

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

Density: 1.7±0.1 g/cm3
Boiling Point: 868.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.3±3.0 kJ/mol
Flash Point: 289.2±27.8 °C
Index of Refraction: 1.712
Molar Refractivity: 135.7±0.3 cm3
#H bond acceptors: 14
#H bond donors: 9
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -0.70
ACD/LogD (pH 5.5): -1.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.03
ACD/LogD (pH 7.4): -2.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 236 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 96.4±3.0 dyne/cm
Molar Volume: 346.6±3.0 cm3

Click to predict properties on the Chemicalize site


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