ChemSpider 2D Image | (6Z)-3-[(2-Acetamidoethyl)sulfanyl]-6-(1-hydroxy-2-propanylidene)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate | C14H17N2O5S

(6Z)-3-[(2-Acetamidoethyl)sulfanyl]-6-(1-hydroxy-2-propanylidene)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

  • Molecular FormulaC14H17N2O5S
  • Average mass325.361 Da
  • Monoisotopic mass325.086365 Da
  • ChemSpider ID21214251

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

(6Z)-3-[(2-Acetamidoethyl)sulfanyl]-6-(1-hydroxy-2-propanyliden)-7-oxo-1-azabicyclo[3.2.0]hept-2-en-2-carboxylat [German] [ACD/IUPAC Name]
(6Z)-3-[(2-Acetamidoethyl)sulfanyl]-6-(1-hydroxy-2-propanylidene)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate [ACD/IUPAC Name]
(6Z)-3-[(2-Acétamidoéthyl)sulfanyl]-6-(1-hydroxy-2-propanylidène)-7-oxo-1-azabicyclo[3.2.0]hept-2-ène-2-carboxylate [French] [ACD/IUPAC Name]
1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[[2-(acetylamino)ethyl]thio]-6-(2-hydroxy-1-methylethylidene)-7-oxo-, ion(1-), (6Z)- [ACD/Index Name]

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

Density:
Boiling Point: 669.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.6±6.0 kJ/mol
Flash Point: 358.8±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.58
ACD/LogD (pH 5.5): -1.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.05
ACD/LogD (pH 7.4): -3.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 135 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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