ChemSpider 2D Image | 2-Amino-4-[2-({[(5S,10R)-7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-trien-3-yl]carbonyl}amino)ethyl]-5-(3,5,8-trihydroxy-4-oxo-1,4-dihydro-6-quinolinyl)-1H-imidazol-1-ium | C24H23Br2N6O8

2-Amino-4-[2-({[(5S,10R)-7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-trien-3-yl]carbonyl}amino)ethyl]-5-(3,5,8-trihydroxy-4-oxo-1,4-dihydro-6-quinolinyl)-1H-imidazol-1-ium

  • Molecular FormulaC24H23Br2N6O8
  • Average mass683.282 Da
  • Monoisotopic mass680.993835 Da
  • ChemSpider ID29214275

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

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-[2-[2-amino-4-(1,4-dihydro-3,5,8-trihydroxy-4-oxo-6-quinolinyl)-1H-imidazol-5-yl]ethyl]-7,9-dibromo-10-hydroxy-8-methoxy-, conjugate monoacid, ( 5S,10R)- [ACD/Index Name]
2-Amino-4-[2-({[(5S,10R)-7,9-dibrom-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-trien-3-yl]carbonyl}amino)ethyl]-5-(3,5,8-trihydroxy-4-oxo-1,4-dihydro-6-chinolinyl)-1H-imidazol-1-ium [German] [ACD/IUPAC Name]
2-Amino-4-[2-({[(5S,10R)-7,9-dibromo-10-hydroxy-8-méthoxy-1-oxa-2-azaspiro[4.5]déca-2,6,8-trién-3-yl]carbonyl}amino)éthyl]-5-(3,5,8-trihydroxy-4-oxo-1,4-dihydro-6-quinoléinyl)-1H-imidazol-1-ium [French] [ACD/IUPAC Name]
2-Amino-4-[2-({[(5S,10R)-7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-trien-3-yl]carbonyl}amino)ethyl]-5-(3,5,8-trihydroxy-4-oxo-1,4-dihydro-6-quinolinyl)-1H-imidazol-1-ium [ACD/IUPAC Name]
CERATINADIN B

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 14
#H bond donors: 9
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 2.75
ACD/LogD (pH 5.5): -0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.67
ACD/LogD (pH 7.4): -0.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 226 Å2
Polarizability:
Surface Tension:
Molar Volume:

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