ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-2-oxoethyl 3-O-(6-deoxy-alpha-L-mannopyranosyl)-4-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-beta-D-glucopyranoside | C29H34O16

2-(3,4-Dihydroxyphenyl)-2-oxoethyl 3-O-(6-deoxy-α-L-mannopyranosyl)-4-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-β-D-glucopyranoside

  • Molecular FormulaC29H34O16
  • Average mass638.571 Da
  • Monoisotopic mass638.184692 Da
  • ChemSpider ID68024375

  • 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

2-(3,4-Dihydroxyphenyl)-2-oxoethyl 3-O-(6-deoxy-α-L-mannopyranosyl)-4-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-β-D-glucopyranoside [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-2-oxoethyl-3-O-(6-desoxy-α-L-mannopyranosyl)-4-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
3-O-(6-Désoxy-α-L-mannopyranosyl)-4-O-[(2E)-3-(3,4-dihydroxyphényl)-2-propenoyl]-β-D-glucopyranoside de 2-(3,4-dihydroxyphényl)-2-oxoéthyle [French] [ACD/IUPAC Name]
Ethanone, 2-[[3-O-(6-deoxy-α-L-mannopyranosyl)-4-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-1-(3,4-dihydroxyphenyl)- [ACD/Index Name]
149507-92-6 [RN]
OXOACTEOSIDE

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

Density: 1.7±0.1 g/cm3
Boiling Point: 975.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 148.9±3.0 kJ/mol
Flash Point: 316.6±27.8 °C
Index of Refraction: 1.698
Molar Refractivity: 148.5±0.4 cm3
#H bond acceptors: 16
#H bond donors: 9
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 3.02
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 3.11
ACD/KOC (pH 5.5): 78.22
ACD/LogD (pH 7.4): 0.72
ACD/BCF (pH 7.4): 1.82
ACD/KOC (pH 7.4): 45.72
Polar Surface Area: 262 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 102.1±5.0 dyne/cm
Molar Volume: 385.3±5.0 cm3

Click to predict properties on the Chemicalize site


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