ChemSpider 2D Image | (5S,9S,10R)-N-[2-(2-Amino-1H-imidazol-4-yl)ethyl]-7,9-dibromo-10-hydroxy-8-oxo-1-oxa-2-azaspiro[4.5]deca-2,6-diene-3-carboxamide | C14H15Br2N5O4

(5S,9S,10R)-N-[2-(2-Amino-1H-imidazol-4-yl)ethyl]-7,9-dibromo-10-hydroxy-8-oxo-1-oxa-2-azaspiro[4.5]deca-2,6-diene-3-carboxamide

  • Molecular FormulaC14H15Br2N5O4
  • Average mass477.108 Da
  • Monoisotopic mass474.949066 Da
  • ChemSpider ID25068494

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(5S,9S,10R)-N-[2-(2-Amino-1H-imidazol-4-yl)ethyl]-7,9-dibrom-10-hydroxy-8-oxo-1-oxa-2-azaspiro[4.5]deca-2,6-dien-3-carboxamid [German] [ACD/IUPAC Name]
(5S,9S,10R)-N-[2-(2-Amino-1H-imidazol-4-yl)ethyl]-7,9-dibromo-10-hydroxy-8-oxo-1-oxa-2-azaspiro[4.5]deca-2,6-diene-3-carboxamide [ACD/IUPAC Name]
(5S,9S,10R)-N-[2-(2-Amino-1H-imidazol-4-yl)éthyl]-7,9-dibromo-10-hydroxy-8-oxo-1-oxa-2-azaspiro[4.5]déca-2,6-diène-3-carboxamide [French] [ACD/IUPAC Name]
1-Oxa-2-azaspiro[4.5]deca-2,6-diene-3-carboxamide, 7,9-dibromo-N-[2-(2,3-dihydro-2-imino-1H-imidazol-4-yl)ethyl]-10-hydroxy-8-oxo-, (5S,9S,10R)- [ACD/Index Name]

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

Density: 2.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.805
Molar Refractivity: 93.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 0.43
ACD/LogD (pH 5.5): -0.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.96
ACD/LogD (pH 7.4): 0.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 29.58
Polar Surface Area: 136 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 83.1±7.0 dyne/cm
Molar Volume: 216.9±7.0 cm3

Click to predict properties on the Chemicalize site


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