ChemSpider 2D Image | 2-O-Acetyl-5-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-alpha-L-arabinofuranosyl-(1->2)-beta-D-xylopyranosyl alpha-D-xylopyranoside | C27H36O17

2-O-Acetyl-5-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-α-L-arabinofuranosyl-(1->2)-β-D-xylopyranosyl α-D-xylopyranoside

  • Molecular FormulaC27H36O17
  • Average mass632.565 Da
  • Monoisotopic mass632.195251 Da
  • ChemSpider ID4947972

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 12 of 12 defined stereocentres

More details:

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

2-O-Acetyl-5-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-α-L-arabinofuranosyl-(1->2)-β-D-xylopyranosyl α-D-xylopyranoside [ACD/IUPAC Name]
2-O-Acetyl-5-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-α-L-arabinofuranosyl-(1->2)-β-D-xylopyranosyl-α-D-xylopyranosid [German] [ACD/IUPAC Name]
α-D-Xylopyranoside de 2-O-acétyl-5-O-[(2E)-3-(4-hydroxy-3-méthoxyphényl)-2-propenoyl]-α-L-arabinofuranosyl-(1->2)-β-D-xylopyranosyle [French] [ACD/IUPAC Name]
α-D-Xylopyranoside, O-2-O-acetyl-5-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-α-L-arabinofuranosyl-(1->2)-β-D-xylopyranosyl [ACD/Index Name]
135546-60-0 [RN]
a-D-Xylopyranose,O-2-O-acetyl-5-O-[3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-a-L-arabinofuranosyl-(1®3)-O-b-D-xylopyranosyl-(1®4)-, (E)- (9CI)
AFAXX
O-(2-O-ACETYL-5-O-(FERULOYL)-A-ARABINOFURANOSYL)-(1-3)-O-SS-XYLOPYRANOSYL-(1-4)-XYLOPYRANOSE
O-(2-O-Acetyl-5-O-(feruloyl)-α-arabinofuranosyl)-(1-3)-O-β-xylopyranosyl-(1-4)-xylopyranose

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

Density: 1.6±0.1 g/cm3
Boiling Point: 885.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.8±3.0 kJ/mol
Flash Point: 288.2±27.8 °C
Index of Refraction: 1.634
Molar Refractivity: 142.4±0.4 cm3
#H bond acceptors: 17
#H bond donors: 7
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 1.20
ACD/LogD (pH 5.5): -0.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.15
ACD/LogD (pH 7.4): -0.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.10
Polar Surface Area: 250 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 84.9±5.0 dyne/cm
Molar Volume: 398.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement