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Search term: 65323278 (Found by CSID)
ChemSpider 2D Image | allianthrone C | C36H32Cl2O10

allianthrone C

  • Molecular FormulaC36H32Cl2O10
  • Average mass695.539 Da
  • Monoisotopic mass694.137268 Da
  • ChemSpider ID65323278

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(9S,9'S)-3,3'-Dichlor-4,4',5,5'-tetrahydroxy-7,7'-bis[(2S)-2-hydroxypropyl]-2,2'-dimethoxy-9,9'-bianthracen-10,10'(9H,9'H)-dion [German] [ACD/IUPAC Name]
(9S,9'S)-3,3'-Dichloro-4,4',5,5'-tetrahydroxy-7,7'-bis[(2S)-2-hydroxypropyl]-2,2'-dimethoxy-9,9'-bianthracene-10,10'(9H,9'H)-dione [ACD/IUPAC Name]
(9S,9'S)-3,3'-Dichloro-4,4',5,5'-tétrahydroxy-7,7'-bis[(2S)-2-hydroxypropyl]-2,2'-diméthoxy-9,9'-bianthracène-10,10'(9H,9'H)-dione [French] [ACD/IUPAC Name]
[9,9'-Bianthracene]-10,10'(9H,9'H)-dione, 3,3'-dichloro-4,4',5,5'-tetrahydroxy-7,7'-bis[(2S)-2-hydroxypropyl]-2,2'-dimethoxy-, (9S,9'S)- [ACD/Index Name]
allianthrone C

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

Density: 1.5±0.1 g/cm3
Boiling Point: 853.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.0±3.0 kJ/mol
Flash Point: 470.0±34.3 °C
Index of Refraction: 1.699
Molar Refractivity: 177.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 4
ACD/LogP: 8.53
ACD/LogD (pH 5.5): 7.38
ACD/BCF (pH 5.5): 174421.89
ACD/KOC (pH 5.5): 136288.89
ACD/LogD (pH 7.4): 3.75
ACD/BCF (pH 7.4): 41.06
ACD/KOC (pH 7.4): 32.09
Polar Surface Area: 174 Å2
Polarizability: 70.2±0.5 10-24cm3
Surface Tension: 73.8±3.0 dyne/cm
Molar Volume: 458.8±3.0 cm3

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