ChemSpider 2D Image | (2-Acetamidoethyl){(5R,6R)-2-carboxy-7-oxo-6-[2-(sulfooxy)-2-propanyl]-1-azabicyclo[3.2.0]hept-2-en-3-yl}sulfoniumolate | C14H20N2O9S2

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

  • Molecular FormulaC14H20N2O9S2
  • Average mass424.447 Da
  • Monoisotopic mass424.061035 Da
  • ChemSpider ID32698381

  • 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-7-oxo-6-[2-(sulfooxy)-2-propanyl]-1-azabicyclo[3.2.0]hept-2-en-3-yl}sulfoniumolat [German] [ACD/IUPAC Name]
(2-Acetamidoethyl){(5R,6R)-2-carboxy-7-oxo-6-[2-(sulfooxy)-2-propanyl]-1-azabicyclo[3.2.0]hept-2-en-3-yl}sulfoniumolate [ACD/IUPAC Name]
(2-Acétamidoéthyl){(5R,6R)-2-carboxy-7-oxo-6-[2-(sulfooxy)-2-propanyl]-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-methyl-1-(sulfooxy)ethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]hydroxy-, inner salt [ACD/Index Name]
87139-37-5 [RN]
Carpetimycin D

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.655
Molar Refractivity: 92.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 9
#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: 182 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 92.1±5.0 dyne/cm
Molar Volume: 252.2±5.0 cm3

Click to predict properties on the Chemicalize site


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