ChemSpider 2D Image | (2S,3aR)-2,3a,4,6,9-Pentahydroxy-2,3,3a,12a-tetrahydroanthra[2,3-b]furo[3,2-d]furan-5,10-dione | C18H12O9

(2S,3aR)-2,3a,4,6,9-Pentahydroxy-2,3,3a,12a-tetrahydroanthra[2,3-b]furo[3,2-d]furan-5,10-dione

  • Molecular FormulaC18H12O9
  • Average mass372.283 Da
  • Monoisotopic mass372.048126 Da
  • ChemSpider ID26285764
  • defined stereocentres - 2 of 3 defined stereocentres


More details:






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

(2S,3aR)-2,3a,4,6,9-Pentahydroxy-2,3,3a,12a-tetrahydroanthra[2,3-b]furo[3,2-d]furan-5,10-dion [German] [ACD/IUPAC Name]
(2S,3aR)-2,3a,4,6,9-Pentahydroxy-2,3,3a,12a-tetrahydroanthra[2,3-b]furo[3,2-d]furan-5,10-dione [ACD/IUPAC Name]
(2S,3aR)-2,3a,4,6,9-Pentahydroxy-2,3,3a,12a-tétrahydroanthra[2,3-b]furo[3,2-d]furane-5,10-dione [French] [ACD/IUPAC Name]
Anthra[2,3-b]furo[3,2-d]furan-5,10-dione, 2,3,3a,12a-tetrahydro-2,3a,4,6,9-pentahydroxy-, (2S,3aR)- [ACD/Index Name]
(2S,3aR,12aS)-2,3a,4,6,9-pentahydroxy-2,3,3a,12a-tetrahydroanthra[2,3-b]furo[3,2-d]furan-5,10-dione
2-epidothistromin

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.0±0.1 g/cm3
Boiling Point: 774.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.2±3.0 kJ/mol
Flash Point: 289.0±26.4 °C
Index of Refraction: 1.867
Molar Refractivity: 85.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 3.24
ACD/LogD (pH 5.5): 2.09
ACD/BCF (pH 5.5): 19.60
ACD/KOC (pH 5.5): 245.84
ACD/LogD (pH 7.4): 0.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.51
Polar Surface Area: 154 Å2
Polarizability: 33.9±0.5 10-24cm3
Surface Tension: 137.2±3.0 dyne/cm
Molar Volume: 188.5±3.0 cm3

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