ChemSpider 2D Image | Alboside III | C26H32O12

Alboside III

  • Molecular FormulaC26H32O12
  • Average mass536.525 Da
  • Monoisotopic mass536.189392 Da
  • ChemSpider ID8872962

  • 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

(1S,4aS,6S,7R,7aS)-6-Hydroxy-1-({2-O-[(2E)-3-(4-methoxyphenyl)-2-propenoyl]-β-D-glucopyranosyl}oxy)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carbonsäure [German] [ACD/IUPAC Name]
(1S,4aS,6S,7R,7aS)-6-Hydroxy-1-({2-O-[(2E)-3-(4-methoxyphenyl)-2-propenoyl]-β-D-glucopyranosyl}oxy)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid [ACD/IUPAC Name]
Acide (1S,4aS,6S,7R,7aS)-6-hydroxy-1-({2-O-[(2E)-3-(4-méthoxyphényl)-2-propenoyl]-β-D-glucopyranosyl}oxy)-7-méthyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyrane-4-carboxylique [French] [ACD/IUPAC Name]
Alboside III
Cyclopenta[c]pyran-4-carboxylic acid, 1,4a,5,6,7,7a-hexahydro-6-hydroxy-1-[[2-O-[(2E)-3-(4-methoxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-7-methyl-, (1S,4aS,6S,7R,7aS)- [ACD/Index Name]
  • Miscellaneous

    • Compound Source:

      Chiococca alba (Rubiaceae) Susan Richardson [Structure found in Encyclopedia of Traditional Chinese Medicines - Molecular Structures, Pharmacological Activities, Natural Sources and Applications]
      Isolated from a plant Susan Richardson [Structure found in Encyclopedia of Traditional Chinese Medicines - Molecular Structures, Pharmacological Activities, Natural Sources and Applications]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 779.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.9±3.0 kJ/mol
Flash Point: 259.8±26.4 °C
Index of Refraction: 1.632
Molar Refractivity: 129.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 2.69
ACD/LogD (pH 5.5): 0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.15
ACD/LogD (pH 7.4): -1.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 181 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 74.1±5.0 dyne/cm
Molar Volume: 362.3±5.0 cm3

Click to predict properties on the Chemicalize site


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