ChemSpider 2D Image | Neoliquiritin | C21H22O9

Neoliquiritin

  • Molecular FormulaC21H22O9
  • Average mass418.394 Da
  • Monoisotopic mass418.126373 Da
  • ChemSpider ID52083498

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2S)-2-(4-Hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl β-D-glucopyranoside [ACD/IUPAC Name]
(2S)-2-(4-Hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
(2S)-2-(4-hydroxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one
4H-1-Benzopyran-4-one, 7-(β-D-glucopyranosyloxy)-2,3-dihydro-2-(4-hydroxyphenyl)-, (2S)- [ACD/Index Name]
5088-75-5 [RN]
Neoliquiritin
β-D-Glucopyranoside de (2S)-2-(4-hydroxyphényl)-4-oxo-3,4-dihydro-2H-chromén-7-yle [French] [ACD/IUPAC Name]
(S)-2-(4-hydroxyphenyl)-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)chroman-4-one
(S)-2,3-Dihydro-7-(β-D-glucopyranosyloxy)-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
4',7-Dihydroxyflavanone 7-glucoside
More...

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

5X51Y867TK [DBID]
UNII:5X51Y867TK [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 741.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.4±3.0 kJ/mol
Flash Point: 263.8±26.4 °C
Index of Refraction: 1.670
Molar Refractivity: 102.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 0.22
ACD/LogD (pH 5.5): 0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 29.10
ACD/LogD (pH 7.4): 0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 28.94
Polar Surface Area: 146 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 78.0±3.0 dyne/cm
Molar Volume: 273.5±3.0 cm3

Click to predict properties on the Chemicalize site


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