ChemSpider 2D Image | (1S,1'R,2R)-1,1'-Diacetyl-2,5,5',10,10'-pentahydroxy-2,2'-dimethyl-2,3-dihydro-9,9'-bianthracene-4,4'(1H,1'H)-dione | C34H28O9

(1S,1'R,2R)-1,1'-Diacetyl-2,5,5',10,10'-pentahydroxy-2,2'-dimethyl-2,3-dihydro-9,9'-bianthracene-4,4'(1H,1'H)-dione

  • Molecular FormulaC34H28O9
  • Average mass580.581 Da
  • Monoisotopic mass580.173340 Da
  • ChemSpider ID59701260

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,1'R,2R)-1,1'-Diacetyl-2,5,5',10,10'-pentahydroxy-2,2'-dimethyl-2,3-dihydro-9,9'-bianthracen-4,4'(1H,1'H)-dion [German] [ACD/IUPAC Name]
(1S,1'R,2R)-1,1'-Diacetyl-2,5,5',10,10'-pentahydroxy-2,2'-dimethyl-2,3-dihydro-9,9'-bianthracene-4,4'(1H,1'H)-dione [ACD/IUPAC Name]
(1S,1'R,2R)-1,1'-Diacétyl-2,5,5',10,10'-pentahydroxy-2,2'-diméthyl-2,3-dihydro-9,9'-bianthracène-4,4'(1H,1'H)-dione [French] [ACD/IUPAC Name]
[9,9'-Bianthracene]-4,4'(1H,1'H)-dione, 1,1'-diacetyl-2,3-dihydro-2,5,5',10,10'-pentahydroxy-2,2'-dimethyl-, (1S,1'R,2R)- [ACD/Index Name]
Setomimycin

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

Density: 1.5±0.1 g/cm3
Boiling Point: 765.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.9±3.0 kJ/mol
Flash Point: 430.5±29.4 °C
Index of Refraction: 1.731
Molar Refractivity: 156.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 3.78
ACD/LogD (pH 5.5): 0.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.79
ACD/LogD (pH 7.4): 0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 169 Å2
Polarizability: 62.2±0.5 10-24cm3
Surface Tension: 75.4±3.0 dyne/cm
Molar Volume: 392.5±3.0 cm3

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