ChemSpider 2D Image | (2S)-5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-6-yl D-allopyranoside | C21H22O11

(2S)-5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-6-yl D-allopyranoside

  • Molecular FormulaC21H22O11
  • Average mass450.393 Da
  • Monoisotopic mass450.116211 Da
  • ChemSpider ID28283011

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

Featured data source
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2S)-5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-6-yl D-allopyranoside [ACD/IUPAC Name]
(2S)-5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-6-yl-D-allopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 6-(D-allopyranosyloxy)-2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-, (2S)- [ACD/Index Name]
D-Allopyranoside de (2S)-5,7-dihydroxy-2-(4-hydroxyphényl)-4-oxo-3,4-dihydro-2H-chromén-6-yle [French] [ACD/IUPAC Name]
(2S)-4',5,6,7-tetrahydroxyflavanone

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

Density: 1.7±0.1 g/cm3
Boiling Point: 839.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 127.8±3.0 kJ/mol
Flash Point: 296.3±27.8 °C
Index of Refraction: 1.713
Molar Refractivity: 106.0±0.3 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -0.10
ACD/LogD (pH 5.5): 0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 26.68
ACD/LogD (pH 7.4): -1.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.75
Polar Surface Area: 186 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 94.6±3.0 dyne/cm
Molar Volume: 270.4±3.0 cm3

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