ChemSpider 2D Image | Psammaplin A | C22H24Br2N4O6S2

Psammaplin A

  • Molecular FormulaC22H24Br2N4O6S2
  • Average mass664.387 Da
  • Monoisotopic mass661.950378 Da
  • ChemSpider ID4912121

  • Double-bond stereo - Double-bond stereo

More details:

Featured data source
Natural Product Updates

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

(2E,2'E)-N,N'-(Disulfandiyldi-2,1-ethandiyl)bis[3-(3-brom-4-hydroxyphenyl)-2-(hydroxyimino)propanamid] [German] [ACD/IUPAC Name]
(2E,2'E)-N,N'-(Disulfanediyldi-2,1-ethanediyl)bis[3-(3-bromo-4-hydroxyphenyl)-2-(hydroxyimino)propanamide] [ACD/IUPAC Name]
(2E,2'E)-N,N'-(Disulfanediyldi-2,1-éthanediyl)bis[3-(3-bromo-4-hydroxyphényl)-2-(hydroxyimino)propanamide] [French] [ACD/IUPAC Name]
(2E,2'E)-N,N'-(Disulfanediyldiethane-2,1-diyl)bis[3-(3-bromo-4-hydroxyphenyl)-2-(hydroxyimino)propanamide]
(E,E)-Psammaplin A
110659-91-1 [RN]
3-(3-Bromo-4-hydroxyphenyl)-N-(2-((2-((3-(3-bromo-4-hydroxyphenyl)-2-(hydroxyimino)propanoyl)amino)ethyl)dithio)ethyl)-2-(hydroxyimino)propanamide
Benzenepropanamide, N,N'-(dithiodi-2,1-ethanediyl)bis[3-bromo-4-hydroxy-α-(hydroxyimino)-, (αE)- [ACD/Index Name]
Psammaplin A
(2E)-3-(3-BROMO-4-HYDROXYPHENYL)-N-[2-({2-[(2E)-3-(3-BROMO-4-HYDROXYPHENYL)-2-(N-HYDROXYIMINO)PROPANAMIDO]ETHYL}DISULFANYL)ETHYL]-2-(N-HYDROXYIMINO)PROPANAMIDE
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

NSC614495 [DBID]

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

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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