ChemSpider 2D Image | (2R)-4-{(1E)-3-[(2-Hydroxy-5-oxo-1-cyclopenten-1-yl)amino]-3-oxo-1-propen-1-yl}-2,3-dihydro-2-furanyl acetate | C14H15NO6

(2R)-4-{(1E)-3-[(2-Hydroxy-5-oxo-1-cyclopenten-1-yl)amino]-3-oxo-1-propen-1-yl}-2,3-dihydro-2-furanyl acetate

  • Molecular FormulaC14H15NO6
  • Average mass293.272 Da
  • Monoisotopic mass293.089935 Da
  • ChemSpider ID59701380

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-4-{(1E)-3-[(2-Hydroxy-5-oxo-1-cyclopenten-1-yl)amino]-3-oxo-1-propen-1-yl}-2,3-dihydro-2-furanyl acetate [ACD/IUPAC Name]
(2R)-4-{(1E)-3-[(2-Hydroxy-5-oxo-1-cyclopenten-1-yl)amino]-3-oxo-1-propen-1-yl}-2,3-dihydro-2-furanyl-acetat [German] [ACD/IUPAC Name]
2-Propenamide, 3-[(5R)-5-(acetyloxy)-4,5-dihydro-3-furanyl]-N-(2-hydroxy-5-oxo-1-cyclopenten-1-yl)-, (2E)- [ACD/Index Name]
Acétate de (2R)-4-{(1E)-3-[(2-hydroxy-5-oxo-1-cyclopentén-1-yl)amino]-3-oxo-1-propén-1-yl}-2,3-dihydro-2-furanyle [French] [ACD/IUPAC Name]
reductiomycin

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

Density: 1.4±0.1 g/cm3
Boiling Point: 522.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.6±6.0 kJ/mol
Flash Point: 270.0±30.1 °C
Index of Refraction: 1.587
Molar Refractivity: 70.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -1.51
ACD/LogD (pH 5.5): -2.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 102 Å2
Polarizability: 28.1±0.5 10-24cm3
Surface Tension: 58.5±5.0 dyne/cm
Molar Volume: 210.7±5.0 cm3

Click to predict properties on the Chemicalize site


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