ChemSpider 2D Image | 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-4-O-[(2Z)-3-(4-hydroxyphenyl)-2-propenoyl]-beta-D-galactopyranoside | C36H36O17

5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-α-L-mannopyranosyl)-4-O-[(2Z)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-galactopyranoside

  • Molecular FormulaC36H36O17
  • Average mass740.661 Da
  • Monoisotopic mass740.195251 Da
  • ChemSpider ID115269855

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 3-[[6-O-(6-deoxy-α-L-mannopyranosyl)-4-O-[(2Z)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-galactopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)- [ACD/Index Name]
5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-α-L-mannopyranosyl)-4-O-[(2Z)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-galactopyranoside [ACD/IUPAC Name]
5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl-6-O-(6-desoxy-α-L-mannopyranosyl)-4-O-[(2Z)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-galactopyranosid [German] [ACD/IUPAC Name]
6-O-(6-Désoxy-α-L-mannopyranosyl)-4-O-[(2Z)-3-(4-hydroxyphényl)-2-propenoyl]-β-D-galactopyranoside de 5,7-dihydroxy-2-(4-hydroxyphényl)-4-oxo-4H-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: 1040.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 159.4±3.0 kJ/mol
Flash Point: 326.6±27.8 °C
Index of Refraction: 1.740
Molar Refractivity: 177.0±0.4 cm3
#H bond acceptors: 17
#H bond donors: 9
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 4.15
ACD/LogD (pH 5.5): 1.38
ACD/BCF (pH 5.5): 6.29
ACD/KOC (pH 5.5): 123.11
ACD/LogD (pH 7.4): -0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.69
Polar Surface Area: 272 Å2
Polarizability: 70.2±0.5 10-24cm3
Surface Tension: 106.0±5.0 dyne/cm
Molar Volume: 438.9±5.0 cm3

Click to predict properties on the Chemicalize site


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