ChemSpider 2D Image | (5S,10R)-N-{3-[2-Amino-4-(3,5,8-trihydroxy-4-oxo-1,4-dihydro-6-quinolinyl)-1H-imidazol-5-yl]propyl}-7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide | C25H24Br2N6O8

(5S,10R)-N-{3-[2-Amino-4-(3,5,8-trihydroxy-4-oxo-1,4-dihydro-6-quinolinyl)-1H-imidazol-5-yl]propyl}-7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide

  • Molecular FormulaC25H24Br2N6O8
  • Average mass696.302 Da
  • Monoisotopic mass694.002197 Da
  • ChemSpider ID35516819

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(5S,10R)-N-{3-[2-Amino-4-(3,5,8-trihydroxy-4-oxo-1,4-dihydro-6-chinolinyl)-1H-imidazol-5-yl]propyl}-7,9-dibrom-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-trien-3-carboxamid [German] [ACD/IUPAC Name]
(5S,10R)-N-{3-[2-Amino-4-(3,5,8-trihydroxy-4-oxo-1,4-dihydro-6-quinoléinyl)-1H-imidazol-5-yl]propyl}-7,9-dibromo-10-hydroxy-8-méthoxy-1-oxa-2-azaspiro[4.5]déca-2,6,8-triène-3-carboxamide [French] [ACD/IUPAC Name]
(5S,10R)-N-{3-[2-Amino-4-(3,5,8-trihydroxy-4-oxo-1,4-dihydro-6-quinolinyl)-1H-imidazol-5-yl]propyl}-7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide [ACD/IUPAC Name]
1-Oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide, N-[3-[2-amino-4-(1,4-dihydro-3,5,8-trihydroxy-4-oxo-6-quinolinyl)-1H-imidazol-5-yl]propyl]-7,9-dibromo-10-hydroxy-8-methoxy-, (5S,10R)- [ACD/Index Name]
ceratinadin D

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: 1.807
Molar Refractivity: 145.6±0.5 cm3
#H bond acceptors: 14
#H bond donors: 9
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 3.18
ACD/LogD (pH 5.5): 0.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.82
ACD/LogD (pH 7.4): 0.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.93
Polar Surface Area: 225 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 82.2±7.0 dyne/cm
Molar Volume: 338.3±7.0 cm3

Click to predict properties on the Chemicalize site


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