ChemSpider 2D Image | N,N'-1,4-Butanediylbis(7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide) | C24H26Br4N4O8

N,N'-1,4-Butanediylbis(7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide)

  • Molecular FormulaC24H26Br4N4O8
  • Average mass818.101 Da
  • Monoisotopic mass813.848389 Da
  • ChemSpider ID266094

More details:

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

1-Oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide, N,N'-1,4-butanediylbis[7,9-dibromo-10-hydroxy-8-methoxy- [ACD/Index Name]
N,N'-1,4-Butandiylbis(7,9-dibrom-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-trien-3-carboxamid) [German] [ACD/IUPAC Name]
N,N'-1,4-Butanediylbis(7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide) [ACD/IUPAC Name]
N,N'-1,4-Butanediylbis(7,9-dibromo-10-hydroxy-8-méthoxy-1-oxa-2-azaspiro[4.5]déca-2,6,8-triène-3-carboxamide) [French] [ACD/IUPAC Name]
28714-26-3 [RN]
aerothionin

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

NCI60_001482 [DBID]
NSC177380 [DBID]

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

Density: 2.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.709
Molar Refractivity: 155.1±0.5 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.78
ACD/LogD (pH 5.5): 3.81
ACD/BCF (pH 5.5): 463.01
ACD/KOC (pH 5.5): 2816.01
ACD/LogD (pH 7.4): 3.81
ACD/BCF (pH 7.4): 462.84
ACD/KOC (pH 7.4): 2814.97
Polar Surface Area: 160 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 65.2±7.0 dyne/cm
Molar Volume: 397.3±7.0 cm3

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