ChemSpider 2D Image | 3,5-Dihydroxy-4-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]phenyl 2-O-(6-deoxy-alpha-L-talopyranosyl)-alpha-D-glucopyranoside | C27H32O14

3,5-Dihydroxy-4-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]phenyl 2-O-(6-deoxy-α-L-talopyranosyl)-α-D-glucopyranoside

  • Molecular FormulaC27H32O14
  • Average mass580.535 Da
  • Monoisotopic mass580.179199 Da
  • ChemSpider ID115040792

  • 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-O-(6-Désoxy-α-L-talopyranosyl)-α-D-glucopyranoside de 3,5-dihydroxy-4-[(2E)-3-(4-hydroxyphényl)-2-propenoyl]phényle [French] [ACD/IUPAC Name]
2-Propen-1-one, 1-[4-[[2-O-(6-deoxy-α-L-talopyranosyl)-α-D-glucopyranosyl]oxy]-2,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)-, (2E)- [ACD/Index Name]
3,5-Dihydroxy-4-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]phenyl 2-O-(6-deoxy-α-L-talopyranosyl)-α-D-glucopyranoside [ACD/IUPAC Name]
3,5-Dihydroxy-4-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]phenyl-2-O-(6-desoxy-α-L-talopyranosyl)-α-D-glucopyranosid [German] [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: 932.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.1±3.0 kJ/mol
Flash Point: 308.9±27.8 °C
Index of Refraction: 1.713
Molar Refractivity: 137.4±0.4 cm3
#H bond acceptors: 14
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 3.23
ACD/LogD (pH 5.5): 0.88
ACD/BCF (pH 5.5): 2.72
ACD/KOC (pH 5.5): 70.48
ACD/LogD (pH 7.4): 0.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.62
Polar Surface Area: 236 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 103.9±5.0 dyne/cm
Molar Volume: 350.6±5.0 cm3

Click to predict properties on the Chemicalize site


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