ChemSpider 2D Image | psammaplysin-A | C21H23Br4N3O6

psammaplysin-A

  • Molecular FormulaC21H23Br4N3O6
  • Average mass733.040 Da
  • Monoisotopic mass728.832031 Da
  • ChemSpider ID24715298
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(4S,5S)-N-{3-[4-(2-Aminoethyl)-2,6-dibromophenoxy]propyl}-8,10-dibromo-4-hydroxy-9-methoxy-1,6-dioxa-2-azaspiro[4.6]undeca-2,7,9-triene-3-carboxamide [ACD/IUPAC Name]
(4S,5S)-N-{3-[4-(2-Aminoéthyl)-2,6-dibromophénoxy]propyl}-8,10-dibromo-4-hydroxy-9-méthoxy-1,6-dioxa-2-azaspiro[4.6]undéca-2,7,9-triène-3-carboxamide [French] [ACD/IUPAC Name]
(4S,5S)-N-{3-[4-(2-Aminoethyl)-2,6-dibromphenoxy]propyl}-8,10-dibrom-4-hydroxy-9-methoxy-1,6-dioxa-2-azaspiro[4.6]undeca-2,7,9-trien-3-carboxamid [German] [ACD/IUPAC Name]
1,6-Dioxa-2-azaspiro[4.6]undeca-2,7,9-triene-3-carboxamide, N-[3-[4-(2-aminoethyl)-2,6-dibromophenoxy]propyl]-8,10-dibromo-4-hydroxy-9-methoxy-, (4S,5S)- [ACD/Index Name]
psammaplysin-A
Psammaplysin A

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

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.675
Molar Refractivity: 137.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.95
ACD/LogD (pH 5.5): 0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.07
ACD/BCF (pH 7.4): 1.27
ACD/KOC (pH 7.4): 11.30
Polar Surface Area: 125 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 59.5±7.0 dyne/cm
Molar Volume: 366.2±7.0 cm3

Click to predict properties on the Chemicalize site






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