ChemSpider 2D Image | (2Z)-3-{2-[(4xi)-beta-D-ribo-Hexopyranosyloxy]phenyl}acrylic acid | C15H18O8

(2Z)-3-{2-[(4ξ)-β-D-ribo-Hexopyranosyloxy]phenyl}acrylic acid

  • Molecular FormulaC15H18O8
  • Average mass326.299 Da
  • Monoisotopic mass326.100159 Da
  • ChemSpider ID28284226

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 5 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(2Z)-3-{2-[(4ξ)-β-D-ribo-Hexopyranosyloxy]phenyl}acrylic acid [ACD/IUPAC Name]
(2Z)-3-{2-[(4ξ)-β-D-ribo-Hexopyranosyloxy]phenyl}acrylsäure [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-[2-[(4ξ)-β-D-ribo-hexopyranosyloxy]phenyl]-, (2Z)- [ACD/Index Name]
Acide (2Z)-3-{2-[(4ξ)-β-D-ribo-hexopyranosyloxy]phényl}acrylique [French] [ACD/IUPAC Name]
cis-melilotoside

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

Density: 1.5±0.1 g/cm3
Boiling Point: 615.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.9±3.0 kJ/mol
Flash Point: 230.1±25.0 °C
Index of Refraction: 1.672
Molar Refractivity: 79.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -0.47
ACD/LogD (pH 5.5): -2.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 137 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 73.9±3.0 dyne/cm
Molar Volume: 212.1±3.0 cm3

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