ChemSpider 2D Image | (4S)-2-(3,4-Dihydroxyphenyl)-4,5,7-trihydroxy-4H-chromen-3-olatato | C15H11O7

(4S)-2-(3,4-Dihydroxyphenyl)-4,5,7-trihydroxy-4H-chromen-3-olatato

  • Molecular FormulaC15H11O7
  • Average mass303.244 Da
  • Monoisotopic mass303.051025 Da
  • ChemSpider ID76963069

  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

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

    • Chemical Class:

      An organic anion that is the conjugate base of (4S)-2,3-dehydroleucocyanidin, obtained by deprotonation of the 3-hydroxy group. It is the major microspecies at pH 7.3 (according to Ma; rvin v 6.2.0.). ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:138948
      An organic anion that is the conjugate base of (4S)-2,3-dehydroleucocyanidin, 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:138948

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

Density:
Boiling Point: 678.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.6±3.0 kJ/mol
Flash Point: 364.1±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 6
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 1.92
ACD/LogD (pH 5.5): 1.17
ACD/BCF (pH 5.5): 4.56
ACD/KOC (pH 5.5): 103.01
ACD/LogD (pH 7.4): 1.13
ACD/BCF (pH 7.4): 4.20
ACD/KOC (pH 7.4): 95.04
Polar Surface Area: 133 Å2
Polarizability:
Surface Tension:
Molar Volume:

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