Found 2 results

Search term: QPBBQXZJTIVCTO (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1beta,5beta,6beta,11beta,12beta,14alpha,15beta)-1,6,11,12,14,15,21-Heptahydroxy-13,20-epoxypicras-3-ene-2,16-dione | C20H26O11

(1β,5β,6β,11β,12β,14α,15β)-1,6,11,12,14,15,21-Heptahydroxy-13,20-epoxypicras-3-ene-2,16-dione

  • Molecular FormulaC20H26O11
  • Average mass442.414 Da
  • Monoisotopic mass442.147522 Da
  • ChemSpider ID113610461

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(1β,5β,6β,11β,12β,14α,15β)-1,6,11,12,14,15,21-Heptahydroxy-13,20-epoxypicras-3-en-2,16-dion [German] [ACD/IUPAC Name]
(1β,5β,6β,11β,12β,14α,15β)-1,6,11,12,14,15,21-Heptahydroxy-13,20-epoxypicras-3-ene-2,16-dione [ACD/IUPAC Name]
(1β,5β,6β,11β,12β,14α,15β)-1,6,11,12,14,15,21-Heptahydroxy-13,20-époxypicras-3-ène-2,16-dione [French] [ACD/IUPAC Name]
Picras-3-ene-2,16-dione, 13,20-epoxy-1,6,11,12,14,15,21-heptahydroxy-, (1β,5β,6β,11β,12β,14α,15β)- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 765.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 127.2±6.0 kJ/mol
Flash Point: 271.9±26.4 °C
Index of Refraction: 1.715
Molar Refractivity: 98.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: -1.01
ACD/LogD (pH 5.5): -1.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.92
ACD/LogD (pH 7.4): -1.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.92
Polar Surface Area: 194 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 107.5±5.0 dyne/cm
Molar Volume: 250.5±5.0 cm3

Click to predict properties on the Chemicalize site


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