ChemSpider 2D Image | (1S)-1,5-Anhydro-2-O-(6-deoxy-alpha-L-mannopyranosyl)-1-[2-(4-hydroxyphenyl)-7-methoxy-5-oxido-4-oxo-4H-chromen-8-yl]-D-glucitol | C28H31O14

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

  • Molecular FormulaC28H31O14
  • Average mass591.538 Da
  • Monoisotopic mass591.171936 Da
  • ChemSpider ID31150398

  • 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-[2-(4-hydroxyphenyl)-7-methoxy-5-oxido-4-oxo-4H-chromen-8-yl]-D-glucitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-2-O-(6-désoxy-α-L-mannopyranosyl)-1-[2-(4-hydroxyphényl)-7-méthoxy-4-oxo-5-oxydo-4H-chromén-8-yl]-D-glucitol [French] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-2-O-(6-desoxy-α-L-mannopyranosyl)-1-[2-(4-hydroxyphenyl)-7-methoxy-5-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-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-4H-1-benzopyran-8-yl]-, ion(1-), (1S)- [ACD/Index Name]
7-O-methylvitexin 2''-O-α-L-rhamnoside(1-)
  • Miscellaneous

    • Chemical Class:

      A flavonoid oxoanion obtained by deprotonation of the 5-hydroxy group of 7-O-methylvitexin 2''-O-alpha-L-rhamnoside. It is the m; ajor microspecies at pH 7.3 (according to Marvin v 6.2.0.). ChEBI CHEBI:77809
      A flavonoid oxoanion obtained by deprotonation of the 5-hydroxy group of 7-O-methylvitexin 2''-O-alpha-L-rhamnoside. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). ChEBI CHEBI:77809

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

Density:
Boiling Point: 898.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.8±3.0 kJ/mol
Flash Point: 296.8±27.8 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 2.12
ACD/LogD (pH 5.5): 0.80
ACD/BCF (pH 5.5): 2.26
ACD/KOC (pH 5.5): 58.93
ACD/LogD (pH 7.4): -0.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.92
Polar Surface Area: 228 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement