ChemSpider 2D Image | discorhabdin W | C36H22Br2N6O4S2

discorhabdin W

  • Molecular FormulaC36H22Br2N6O4S2
  • Average mass826.536 Da
  • Monoisotopic mass823.951050 Da
  • ChemSpider ID9695492

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Featured data source
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1S,1'''S)-2,2'-Disulfanediylbis(5-bromo-2',3',5',7'-tetrahydro-4H,6'H-spiro[cyclohexa-2,5-diene-1,10'-pyrrolo[4,3,2-de][1,7]phenanthroline]-4,6'-dione) [ACD/IUPAC Name]
discorhabdin W
Spiro[cyclohexa-2,5-diene-1,10'(6'H)-pyrrolo[4,3,2-de][1,7]phenanthroline]-4,6'-dione, 2,2'-dithiobis[5-bromo-2',3',5',7'-tetrahydro-, (1S,1'''S)- [ACD/Index Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.947
Molar Refractivity: 196.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 0.34
ACD/LogD (pH 5.5): -0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.05
Polar Surface Area: 199 Å2
Polarizability: 77.9±0.5 10-24cm3
Surface Tension: 89.4±7.0 dyne/cm
Molar Volume: 407.6±7.0 cm3

Click to predict properties on the Chemicalize site


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