ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-(hydroxymethyl)-4-oxo-4H-chromen-3-yl 6-O-(6-deoxyhexopyranosyl)hexopyranoside | C28H32O17

2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-(hydroxymethyl)-4-oxo-4H-chromen-3-yl 6-O-(6-deoxyhexopyranosyl)hexopyranoside

  • Molecular FormulaC28H32O17
  • Average mass640.544 Da
  • Monoisotopic mass640.163940 Da
  • ChemSpider ID4588527

More details:

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

2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-(hydroxymethyl)-4-oxo-4H-chromen-3-yl 6-O-(6-deoxyhexopyranosyl)hexopyranoside [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-(hydroxymethyl)-4-oxo-4H-chromen-3-yl-6-O-(6-desoxyhexopyranosyl)hexopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-[[6-O-(6-deoxyhexopyranosyl)hexopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-(hydroxymethyl)- [ACD/Index Name]
6-O-(6-Désoxyhexopyranosyl)hexopyranoside de 2-(3,4-dihydroxyphényl)-5,7-dihydroxy-6-(hydroxyméthyl)-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
153-17-3 [RN]
2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-6-(HYDROXYMETHYL)-3-[(3,4,5-TRIHYDROXY-6-{[(3,4,5-TRIHYDROXY-6-METHYLOXAN-2-YL)OXY]METHYL}OXAN-2-YL)OXY]CHROMEN-4-ONE
205-813-6 [EINECS]
4H-1-BENZOPYRAN-4-ONE,3-[[6-O-(6-DEOXY-A-L-MANNOPYRANOSYL)-B-D-GLUCOPYRANOSYL]OXY]-2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-6-(HYDROXYMETHYL)-(9CI)

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1028.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 157.4±3.0 kJ/mol
Flash Point: 336.3±27.8 °C
Index of Refraction: 1.771
Molar Refractivity: 144.3±0.4 cm3
#H bond acceptors: 17
#H bond donors: 11
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 0.58
ACD/LogD (pH 5.5): -0.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.03
ACD/LogD (pH 7.4): -2.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 286 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 130.8±5.0 dyne/cm
Molar Volume: 346.9±5.0 cm3

Click to predict properties on the Chemicalize site


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