ChemSpider 2D Image | N-{3-[4-(2-Amino-1-hydroxyethyl)-2,6-dibromophenoxy]propyl}-7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-3-azaspiro[4.5]deca-2,6,8-triene-2-carboxamide | C21H23Br4N3O6

N-{3-[4-(2-Amino-1-hydroxyethyl)-2,6-dibromophenoxy]propyl}-7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-3-azaspiro[4.5]deca-2,6,8-triene-2-carboxamide

  • Molecular FormulaC21H23Br4N3O6
  • Average mass733.040 Da
  • Monoisotopic mass728.832031 Da
  • ChemSpider ID10470343

More details:






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

1-Oxa-3-azaspiro[4.5]deca-2,6,8-triene-2-carboxamide, N-[3-[4-(2-amino-1-hydroxyethyl)-2,6-dibromophenoxy]propyl]-7,9-dibromo-10-hydroxy-8-methoxy- [ACD/Index Name]
N-{3-[4-(2-Amino-1-hydroxyethyl)-2,6-dibromophenoxy]propyl}-7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-3-azaspiro[4.5]deca-2,6,8-triene-2-carboxamide [ACD/IUPAC Name]
N-{3-[4-(2-Amino-1-hydroxyéthyl)-2,6-dibromophénoxy]propyl}-7,9-dibromo-10-hydroxy-8-méthoxy-1-oxa-3-azaspiro[4.5]déca-2,6,8-triène-2-carboxamide [French] [ACD/IUPAC Name]
N-{3-[4-(2-Amino-1-hydroxyethyl)-2,6-dibromphenoxy]propyl}-7,9-dibrom-10-hydroxy-8-methoxy-1-oxa-3-azaspiro[4.5]deca-2,6,8-trien-2-carboxamid [German] [ACD/IUPAC Name]
psammaplysin-B

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

Density: 2.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.694
Molar Refractivity: 137.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.17
ACD/LogD (pH 5.5): 0.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.49
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 12.60
ACD/KOC (pH 7.4): 99.49
Polar Surface Area: 136 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 62.4±7.0 dyne/cm
Molar Volume: 357.0±7.0 cm3

Click to predict properties on the Chemicalize site






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