ChemSpider 2D Image | (2R,3R)-5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-3-yl 6-deoxyhexopyranoside | C21H22O10

(2R,3R)-5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-3-yl 6-deoxyhexopyranoside

  • Molecular FormulaC21H22O10
  • Average mass434.393 Da
  • Monoisotopic mass434.121307 Da
  • ChemSpider ID24958730

  • defined stereocentres - 2 of 7 defined stereocentres

More details:

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

(2R,3R)-5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-3-yl 6-deoxyhexopyranoside [ACD/IUPAC Name]
(2R,3R)-5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-3-yl-6-desoxyhexopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-[(6-deoxyhexopyranosyl)oxy]-2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-, (2R,3R)- [ACD/Index Name]
6-Désoxyhexopyranoside de (2R,3R)-5,7-dihydroxy-2-(4-hydroxyphényl)-4-oxo-3,4-dihydro-2H-chromén-3-yle [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 763.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.6±3.0 kJ/mol
Flash Point: 270.6±26.4 °C
Index of Refraction: 1.722
Molar Refractivity: 103.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 3.58
ACD/LogD (pH 5.5): 1.68
ACD/BCF (pH 5.5): 11.08
ACD/KOC (pH 5.5): 193.18
ACD/LogD (pH 7.4): 1.17
ACD/BCF (pH 7.4): 3.44
ACD/KOC (pH 7.4): 59.93
Polar Surface Area: 166 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 99.8±5.0 dyne/cm
Molar Volume: 261.3±5.0 cm3

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