ChemSpider 2D Image | RHODALIN | C20H18O11

RHODALIN

  • Molecular FormulaC20H18O11
  • Average mass434.350 Da
  • Monoisotopic mass434.084900 Da
  • ChemSpider ID34993633

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl β-D-xylopyranoside [ACD/IUPAC Name]
3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl-β-D-xylopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-(β-D-xylopyranosyloxy)- [ACD/Index Name]
54676-60-7 [RN]
R7PYT7CAEL
RHODALIN
β-D-Xylopyranoside de 3,5,7-trihydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-8-yle [French] [ACD/IUPAC Name]
Herbacetin 8-xyloside
UNII:R7PYT7CAEL
UNII-R7PYT7CAEL

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

Density: 1.8±0.1 g/cm3
Boiling Point: 791.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.7±3.0 kJ/mol
Flash Point: 283.4±26.4 °C
Index of Refraction: 1.791
Molar Refractivity: 100.9±0.3 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: -0.03
ACD/LogD (pH 5.5): -0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.04
ACD/LogD (pH 7.4): -2.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 186 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 119.7±3.0 dyne/cm
Molar Volume: 238.1±3.0 cm3

Click to predict properties on the Chemicalize site


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