ChemSpider 2D Image | Forsythoside A | C29H36O15

Forsythoside A

  • Molecular FormulaC29H36O15
  • Average mass624.587 Da
  • Monoisotopic mass624.205444 Da
  • ChemSpider ID23089585
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 10 defined stereocentres


More details:






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

2-(3,4-Dihydroxyphenyl)ethyl 6-O-(6-deoxy-β-D-gulopyranosyl)-4-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-α-L-altropyranoside [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)ethyl 6-O-(6-deoxy-β-D-gulopyranosyl)-4-O-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-α-L-altropyranoside
2-(3,4-dihydroxyphenyl)ethyl 6-O-(6-deoxy-β-D-gulopyranosyl)-4-O-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-β-D-galactopyranoside
2-(3,4-Dihydroxyphenyl)ethyl-6-O-(6-desoxy-β-D-gulopyranosyl)-4-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-α-L-altropyranosid [German] [ACD/IUPAC Name]
6-O-(6-Désoxy-β-D-gulopyranosyl)-4-O-[(2E)-3-(3,4-dihydroxyphényl)-2-propenoyl]-α-L-altropyranoside de 2-(3,4-dihydroxyphényl)éthyle [French] [ACD/IUPAC Name]
Forsythoside A
α-L-Altropyranoside, 2-(3,4-dihydroxyphenyl)ethyl 6-O-(6-deoxy-β-D-gulopyranosyl)-4-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]- [ACD/Index Name]
β-D-galactopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 6-O-(6-deoxy-β-D-gulopyranosyl)-4-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]-
79916-77-1 [RN]
MFCD08460220 [MDL number]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 911.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.9±3.0 kJ/mol
Flash Point: 295.7±27.8 °C
Index of Refraction: 1.689
Molar Refractivity: 148.4±0.4 cm3
#H bond acceptors: 15
#H bond donors: 9
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 2.12
ACD/LogD (pH 5.5): 0.77
ACD/BCF (pH 5.5): 2.28
ACD/KOC (pH 5.5): 62.67
ACD/LogD (pH 7.4): 0.77
ACD/BCF (pH 7.4): 2.25
ACD/KOC (pH 7.4): 61.92
Polar Surface Area: 245 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 97.1±5.0 dyne/cm
Molar Volume: 388.6±5.0 cm3

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