ChemSpider 2D Image | 5,7-Dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl 6-deoxy-3-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-alpha-L-mannopyranoside | C30H26O14

5,7-Dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl 6-deoxy-3-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-α-L-mannopyranoside

  • Molecular FormulaC30H26O14
  • Average mass610.519 Da
  • Monoisotopic mass610.132263 Da
  • ChemSpider ID8253006

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 3-[[6-deoxy-3-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-α-L-mannopyranosyl]oxy]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)- [ACD/Index Name]
5,7-Dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl 6-deoxy-3-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-α-L-mannopyranoside [ACD/IUPAC Name]
5,7-Dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl-6-desoxy-3-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-α-L-mannopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-3-O-[(2E)-3-(4-hydroxyphényl)-2-propenoyl]-α-L-mannopyranoside de 5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphényl)-4H-chromén-3-yle [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1005.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 153.7±3.0 kJ/mol
Flash Point: 330.9±27.8 °C
Index of Refraction: 1.780
Molar Refractivity: 146.3±0.4 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 3.63
ACD/LogD (pH 5.5): 2.18
ACD/BCF (pH 5.5): 24.78
ACD/KOC (pH 5.5): 318.66
ACD/LogD (pH 7.4): 0.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.10
Polar Surface Area: 233 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 116.7±5.0 dyne/cm
Molar Volume: 348.7±5.0 cm3

Click to predict properties on the Chemicalize site


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