ChemSpider 2D Image | (E,Z)-Psammaplin A | C22H24Br2N4O6S2

(E,Z)-Psammaplin A

  • Molecular FormulaC22H24Br2N4O6S2
  • Average mass664.387 Da
  • Monoisotopic mass661.950378 Da
  • ChemSpider ID10204673
  • Double-bond stereo - Double-bond stereo


More details:






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

(2E,2'Z)-N,N'-(Disulfandiyldi-2,1-ethandiyl)bis[3-(3-brom-4-hydroxyphenyl)-2-(hydroxyimino)propanamid] [German] [ACD/IUPAC Name]
(2E,2'Z)-N,N'-(Disulfanediyldi-2,1-ethanediyl)bis[3-(3-bromo-4-hydroxyphenyl)-2-(hydroxyimino)propanamide] [ACD/IUPAC Name]
(2E,2'Z)-N,N'-(Disulfanediyldi-2,1-éthanediyl)bis[3-(3-bromo-4-hydroxyphényl)-2-(hydroxyimino)propanamide] [French] [ACD/IUPAC Name]
(2E,2'Z)-N,N'-(disulfanediyldiethane-2,1-diyl)bis[3-(3-bromo-4-hydroxyphenyl)-2-(hydroxyimino)propanamide]
(E,Z)-Psammaplin A
Benzenepropanamide, N,N'-(dithiodi-2,1-ethanediyl)bis[3-bromo-4-hydroxy-α-(hydroxyimino)-, (αE)- [ACD/Index Name]
3-(3-bromo-4-hydroxy-phenyl)-N-[2-(2-{3-(3-bromo-4-hydroxy-phenyl)-2-[hydroxyimino]-propionylamino}-ethyldisulfanyl)-ethyl]-2-[hydroxyimino]-propionamide

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.686
Molar Refractivity: 146.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 4.70
ACD/LogD (pH 5.5): 4.47
ACD/BCF (pH 5.5): 1479.98
ACD/KOC (pH 5.5): 6457.91
ACD/LogD (pH 7.4): 4.28
ACD/BCF (pH 7.4): 938.44
ACD/KOC (pH 7.4): 4094.90
Polar Surface Area: 214 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 64.4±7.0 dyne/cm
Molar Volume: 385.9±7.0 cm3

Click to predict properties on the Chemicalize site






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