ChemSpider 2D Image | (5S,10R)-7,9-Dibromo-N-(2-{2,6-dibromo-4-[3-(methylamino)propoxy]phenyl}ethyl)-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide | C22H25Br4N3O5

(5S,10R)-7,9-Dibromo-N-(2-{2,6-dibromo-4-[3-(methylamino)propoxy]phenyl}ethyl)-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide

  • Molecular FormulaC22H25Br4N3O5
  • Average mass731.067 Da
  • Monoisotopic mass726.852722 Da
  • ChemSpider ID8276998

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(5S,10R)-7,9-Dibrom-N-(2-{2,6-dibrom-4-[3-(methylamino)propoxy]phenyl}ethyl)-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-trien-3-carboxamid [German] [ACD/IUPAC Name]
(5S,10R)-7,9-Dibromo-N-(2-{2,6-dibromo-4-[3-(methylamino)propoxy]phenyl}ethyl)-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide [ACD/IUPAC Name]
(5S,10R)-7,9-Dibromo-N-(2-{2,6-dibromo-4-[3-(méthylamino)propoxy]phényl}éthyl)-10-hydroxy-8-méthoxy-1-oxa-2-azaspiro[4.5]déca-2,6,8-triène-3-carboxamide [French] [ACD/IUPAC Name]
1-Oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide, 7,9-dibromo-N-[2-[2,6-dibromo-4-[3-(methylamino)propoxy]phenyl]ethyl]-10-hydroxy-8-methoxy-, (5S,10R)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL464838/
purealidin S

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.662
Molar Refractivity: 141.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.04
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 3.83
ACD/KOC (pH 5.5): 12.53
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 48.24
ACD/KOC (pH 7.4): 157.86
Polar Surface Area: 101 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 54.8±7.0 dyne/cm
Molar Volume: 382.9±7.0 cm3

Click to predict properties on the Chemicalize site


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