ChemSpider 2D Image | (2-Acetamidoethyl)[(5R,6R)-2-carboxy-6-(2-hydroxy-2-propanyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]sulfoniumolate | C14H20N2O6S

(2-Acetamidoethyl)[(5R,6R)-2-carboxy-6-(2-hydroxy-2-propanyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]sulfoniumolate

  • Molecular FormulaC14H20N2O6S
  • Average mass344.383 Da
  • Monoisotopic mass344.104218 Da
  • ChemSpider ID32697716

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(2-Acetamidoethyl)[(5R,6R)-2-carboxy-6-(2-hydroxy-2-propanyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]sulfoniumolat [German] [ACD/IUPAC Name]
(2-Acetamidoethyl)[(5R,6R)-2-carboxy-6-(2-hydroxy-2-propanyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]sulfoniumolate [ACD/IUPAC Name]
(2-Acétamidoéthyl)[(5R,6R)-2-carboxy-6-(2-hydroxy-2-propanyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-én-3-yl]sulfoniumolate [French] [ACD/IUPAC Name]
Sulfonium, [2-(acetylamino)ethyl][(5R,6R)-2-carboxy-6-(1-hydroxy-1-methylethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]hydroxy-, inner salt [ACD/Index Name]
87695-64-5 [RN]
Carpetimycin C

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.642
Molar Refractivity: 82.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 130 Å2
Polarizability: 32.5±0.5 10-24cm3
Surface Tension: 81.2±5.0 dyne/cm
Molar Volume: 227.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement