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Search term: FSBUXLDOLNLABB-ZBMJVRRDSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)ethyl 6-deoxy-alpha-D-mannopyranosyl-(1->3)-[beta-L-glucopyranosyl-(1->6)]-4-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-beta-D-glucopyranoside | C35H46O20

2-(3,4-Dihydroxyphenyl)ethyl 6-deoxy-α-D-mannopyranosyl-(1->3)-[β-L-glucopyranosyl-(1->6)]-4-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-β-D-glucopyranoside

  • Molecular FormulaC35H46O20
  • Average mass786.728 Da
  • Monoisotopic mass786.258240 Da
  • ChemSpider ID23291905

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 15 of 15 defined stereocentres

More details:

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

2-(3,4-Dihydroxyphenyl)ethyl 6-deoxy-α-D-mannopyranosyl-(1->3)-[β-L-glucopyranosyl-(1->6)]-4-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-β-D-glucopyranoside [ACD/IUPAC Name]
2-(3,4-dihydroxyphenyl)ethyl 6-deoxy-α-D-mannopyranosyl-(1->3)-[β-L-glucopyranosyl-(1->6)]-4-O-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-β-D-glucopyranoside
2-(3,4-Dihydroxyphenyl)ethyl-6-desoxy-α-D-mannopyranosyl-(1->3)-[β-L-glucopyranosyl-(1->6)]-4-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-α-D-mannopyranosyl-(1->3)-[β-L-glucopyranosyl-(1->6)]-4-O-[(2E)-3-(3,4-dihydroxyphényl)-2-propenoyl]-β-D-glucopyranoside de 2-(3,4-dihydroxyphényl)éthyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl O-6-deoxy-α-D-mannopyranosyl-(1->3)-O-[β-L-glucopyranosyl-(1->6)]-4-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]- [ACD/Index Name]
Echinacoside [Wiki]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL393090/

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1062.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 163.1±3.0 kJ/mol
Flash Point: 327.9±27.8 °C
Index of Refraction: 1.698
Molar Refractivity: 182.1±0.4 cm3
#H bond acceptors: 20
#H bond donors: 12
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 0.14
ACD/LogD (pH 5.5): -1.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.61
ACD/LogD (pH 7.4): -1.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.53
Polar Surface Area: 324 Å2
Polarizability: 72.2±0.5 10-24cm3
Surface Tension: 105.3±5.0 dyne/cm
Molar Volume: 472.1±5.0 cm3

Click to predict properties on the Chemicalize site


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