ChemSpider 2D Image | 4-O-Acetyl-6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-beta-D-sorbofuranosyl (5R)-3,4-di-O-acetyl-5-(2-oxopropyl)-alpha-D-xylopyranoside | C29H36O16

4-O-Acetyl-6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-sorbofuranosyl (5R)-3,4-di-O-acetyl-5-(2-oxopropyl)-α-D-xylopyranoside

  • Molecular FormulaC29H36O16
  • Average mass640.586 Da
  • Monoisotopic mass640.200317 Da
  • ChemSpider ID8408599

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(5R)-3,4-Di-O-acétyl-5-(2-oxopropyl)-α-D-xylopyranoside de 4-O-acétyl-6-O-[(2E)-3-(4-hydroxyphényl)-2-propenoyl]-β-D-sorbofuranosyle [French] [ACD/IUPAC Name]
4-O-Acetyl-6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-sorbofuranosyl (5R)-3,4-di-O-acetyl-5-(2-oxopropyl)-α-D-xylopyranoside [ACD/IUPAC Name]
4-O-Acetyl-6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-sorbofuranosyl-(5R)-3,4-di-O-acetyl-5-(2-oxopropyl)-α-D-xylopyranosid [German] [ACD/IUPAC Name]
α-D-gluco-Octopyranosid-7-ulose, 4-O-acetyl-6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-sorbofuranosyl 6,8-dideoxy-, 3,4-diacetate [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 814.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.2±3.0 kJ/mol
Flash Point: 260.1±27.8 °C
Index of Refraction: 1.587
Molar Refractivity: 147.8±0.4 cm3
#H bond acceptors: 16
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 1.74
ACD/LogD (pH 5.5): 0.90
ACD/BCF (pH 5.5): 2.85
ACD/KOC (pH 5.5): 73.66
ACD/LogD (pH 7.4): 0.90
ACD/BCF (pH 7.4): 2.84
ACD/KOC (pH 7.4): 73.27
Polar Surface Area: 231 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 69.0±5.0 dyne/cm
Molar Volume: 440.1±5.0 cm3

Click to predict properties on the Chemicalize site


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