ChemSpider 2D Image | (4S)-4,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-3-olatato | C15H11O6

(4S)-4,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-3-olatato

  • Molecular FormulaC15H11O6
  • Average mass287.245 Da
  • Monoisotopic mass287.056122 Da
  • ChemSpider ID76963070

  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S)-4,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-3-olat [German] [ACD/IUPAC Name]
(4S)-4,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-3-olatato [ACD/IUPAC Name]
(4S)-4,5,7-Trihydroxy-2-(4-hydroxyphényl)-4H-chromén-3-olate [French] [ACD/IUPAC Name]
4H-1-Benzopyran-3,4,5,7-tetrolato, 2-(4-hydroxyphenyl)-, ion(1-), (4S)- [ACD/Index Name]
(4S)-2,3-dehydroleucopelargonidin
(4S)-2,3-dehydroleucopelargonidin(1-)
(4S)-4,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-3-olate
  • Miscellaneous

    • Chemical Class:

      An organic anion that is the conjugate base of (4S)-2,3-dehydroleucopelargonidin, obtained by deprotonation of the 3-hydroxy group. It is the major microspecies at pH 7.3 (according t; o Marvin v 6.2. 0.). ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:138950
      An organic anion that is the conjugate base of (4S)-2,3-dehydroleucopelargonidin, obtained by deprotonation of the 3-hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0. ). ChEBI CHEBI:138950

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

Density:
Boiling Point: 617.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.3±3.0 kJ/mol
Flash Point: 327.2±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 2.12
ACD/LogD (pH 5.5): 1.66
ACD/BCF (pH 5.5): 10.71
ACD/KOC (pH 5.5): 189.89
ACD/LogD (pH 7.4): 1.63
ACD/BCF (pH 7.4): 9.97
ACD/KOC (pH 7.4): 176.92
Polar Surface Area: 113 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement