ChemSpider 2D Image | afabicin | C23H24N3O7P

afabicin

  • Molecular FormulaC23H24N3O7P
  • Average mass485.426 Da
  • Monoisotopic mass485.135193 Da
  • ChemSpider ID58827798

  • Double-bond stereo - Double-bond stereo

More details:

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

{6-[(1E)-3-{Methyl[(3-methyl-1-benzofuran-2-yl)methyl]amino}-3-oxo-1-propen-1-yl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1(2H)-yl}methyl dihydrogen phosphate [ACD/IUPAC Name]
{6-[(1E)-3-{Methyl[(3-methyl-1-benzofuran-2-yl)methyl]amino}-3-oxo-1-propen-1-yl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1(2H)-yl}methyldihydrogenphosphat [German] [ACD/IUPAC Name]
1518800-35-5 [RN]
2-Propenamide, N-methyl-N-[(3-methyl-2-benzofuranyl)methyl]-3-[5,6,7,8-tetrahydro-7-oxo-8-[(phosphonooxy)methyl]-1,8-naphthyridin-3-yl]-, (2E)- [ACD/Index Name]
afabicin [INN]
afabicina [Spanish] [INN]
afabicine [French] [INN]
afabicinum [Latin] [INN]
Dihydrogénophosphate de {6-[(1E)-3-{méthyl[(3-méthyl-1-benzofuran-2-yl)méthyl]amino}-3-oxo-1-propén-1-yl]-2-oxo-3,4-dihydro-1,8-naphtyridin-1(2H)-yl}méthyle [French] [ACD/IUPAC Name]
DMM8663H2R
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

10413 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 876.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.5±3.0 kJ/mol
Flash Point: 483.9±37.1 °C
Index of Refraction: 1.667
Molar Refractivity: 125.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 0.87
ACD/LogD (pH 5.5): -3.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 143 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 71.1±3.0 dyne/cm
Molar Volume: 335.9±3.0 cm3

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