ChemSpider 2D Image | (3aS,12aR)-4,6-Dihydroxy-5,10-dioxo-3a,5,10,12a-tetrahydroanthra[2,3-b]furo[3,2-d]furan-8-olate | C18H9O7

(3aS,12aR)-4,6-Dihydroxy-5,10-dioxo-3a,5,10,12a-tetrahydroanthra[2,3-b]furo[3,2-d]furan-8-olate

  • Molecular FormulaC18H9O7
  • Average mass337.260 Da
  • Monoisotopic mass337.035370 Da
  • ChemSpider ID31150450

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3aS,12aR)-4,6-Dihydroxy-5,10-dioxo-3a,5,10,12a-tetrahydroanthra[2,3-b]furo[3,2-d]furan-8-olat [German] [ACD/IUPAC Name]
(3aS,12aR)-4,6-Dihydroxy-5,10-dioxo-3a,5,10,12a-tetrahydroanthra[2,3-b]furo[3,2-d]furan-8-olate [ACD/IUPAC Name]
(3aS,12aR)-4,6-Dihydroxy-5,10-dioxo-3a,5,10,12a-tétrahydroanthra[2,3-b]furo[3,2-d]furan-8-olate [French] [ACD/IUPAC Name]
Anthra[2,3-b]furo[3,2-d]furan-5,10-dione, 3a,12a-dihydro-4,6,8-trihydroxy-, ion(1-), (3aS,12aR)- [ACD/Index Name]
versicolorin A
versicolorin A(1-)
  • Miscellaneous

    • Chemical Class:

      A phenolate anion obtained by deprotonation of the 8-hydroxy group of versicolorin A. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). ChEBI CHEBI:77976

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

Density:
Boiling Point: 614.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.5±3.0 kJ/mol
Flash Point: 233.0±25.0 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.99
ACD/LogD (pH 5.5): 3.47
ACD/BCF (pH 5.5): 221.02
ACD/KOC (pH 5.5): 1403.40
ACD/LogD (pH 7.4): 0.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.85
Polar Surface Area: 116 Å2
Polarizability:
Surface Tension:
Molar Volume:

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