ChemSpider 2D Image | (1S)-1,5-Anhydro-2-O-(6-deoxy-alpha-L-mannopyranosyl)-1-[5-hydroxy-2-(4-hydroxyphenyl)-7-oxido-4-oxo-4H-chromen-8-yl]-D-glucitol | C27H29O14

(1S)-1,5-Anhydro-2-O-(6-deoxy-α-L-mannopyranosyl)-1-[5-hydroxy-2-(4-hydroxyphenyl)-7-oxido-4-oxo-4H-chromen-8-yl]-D-glucitol

  • Molecular FormulaC27H29O14
  • Average mass577.511 Da
  • Monoisotopic mass577.156250 Da
  • ChemSpider ID26331789

  • Charge - Charge

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1S)-1,5-Anhydro-2-O-(6-deoxy-α-L-mannopyranosyl)-1-[5-hydroxy-2-(4-hydroxyphenyl)-7-oxido-4-oxo-4H-chromen-8-yl]-D-glucitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-2-O-(6-désoxy-α-L-mannopyranosyl)-1-[5-hydroxy-2-(4-hydroxyphényl)-4-oxo-7-oxydo-4H-chromén-8-yl]-D-glucitol [French] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-2-O-(6-desoxy-α-L-mannopyranosyl)-1-[5-hydroxy-2-(4-hydroxyphenyl)-7-oxido-4-oxo-4H-chromen-8-yl]-D-glucitol [German] [ACD/IUPAC Name]
D-Glucitol, 1,5-anhydro-2-O-(6-deoxy-α-L-mannopyranosyl)-1-C-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-8-yl]-, ion(1-), (1S)- [ACD/Index Name]
(1S)-1,5-anhydro-2-O-(6-deoxy-α-L-mannopyranosyl)-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-7-oxido-4-oxo-4H-chromen-8-yl]-D-glucitol
(1S)-1,5-anhydro-2-O-(α-L-rhamnopyranosyl)-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-7-oxido-4-oxo-4H-chromen-8-yl]-D-glucitol
vitexin 2''-O-α-L-rhamnoside
vitexin 2''-O-α-L-rhamnoside anion
vitexin 2''-O-α-L-rhamnoside(1-)
vitexin 2''-O-α-L-rhamnoside-7-olate
  • Miscellaneous

    • Chemical Class:

      The conjugate base of vitexin 2''-O-alpha-L-rhamnoside arising from deprotonation of the OH group at position 7 on the chromene. ChEBI CHEBI:60013

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

Density:
Boiling Point: 898.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.9±3.0 kJ/mol
Flash Point: 299.5±27.8 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 14
#H bond donors: 9
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 1.86
ACD/LogD (pH 5.5): 0.50
ACD/BCF (pH 5.5): 1.34
ACD/KOC (pH 5.5): 40.76
ACD/LogD (pH 7.4): -1.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.25
Polar Surface Area: 239 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement