ChemSpider 2D Image | (5S,6S)-3-[(2-Acetamidoethyl)sulfinyl]-7-oxo-6-[2-(sulfooxy)-2-propanyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid | C14H20N2O9S2

(5S,6S)-3-[(2-Acetamidoethyl)sulfinyl]-7-oxo-6-[2-(sulfooxy)-2-propanyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

  • Molecular FormulaC14H20N2O9S2
  • Average mass424.447 Da
  • Monoisotopic mass424.061035 Da
  • ChemSpider ID59701474

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(5S,6S)-3-[(2-Acetamidoethyl)sulfinyl]-7-oxo-6-[2-(sulfooxy)-2-propanyl]-1-azabicyclo[3.2.0]hept-2-en-2-carbonsäure [German] [ACD/IUPAC Name]
(5S,6S)-3-[(2-Acetamidoethyl)sulfinyl]-7-oxo-6-[2-(sulfooxy)-2-propanyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid [ACD/IUPAC Name]
(5S,6S)-3-[(R)-(2-Acetamidoethyl)sulfinyl]-7-oxo-6-[2-(sulfooxy)-2-propanyl]-1-azabicyclo[3.2.0]hept-2-en-2-carbonsäure [German] [ACD/IUPAC Name]
(5S,6S)-3-[(R)-(2-Acetamidoethyl)sulfinyl]-7-oxo-6-[2-(sulfooxy)-2-propanyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid [ACD/IUPAC Name]
1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[(R)-[(1R)-2-(acetylamino)ethyl]sulfinyl]-6-[1-methyl-1-(sulfooxy)ethyl]-7-oxo-, (5S,6S)- [ACD/Index Name]
1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[[2-(acetylamino)ethyl]sulfinyl]-6-[1-methyl-1-(sulfooxy)ethyl]-7-oxo-, (5S,6S)- [ACD/Index Name]
Acide (5S,6S)-3-[(2-acétamidoéthyl)sulfinyl]-7-oxo-6-[2-(sulfooxy)-2-propanyl]-1-azabicyclo[3.2.0]hept-2-ène-2-carboxylique [French] [ACD/IUPAC Name]
Acide (5S,6S)-3-[(R)-(2-acétamidoéthyl)sulfinyl]-7-oxo-6-[2-(sulfooxy)-2-propanyl]-1-azabicyclo[3.2.0]hept-2-ène-2-carboxylique [French] [ACD/IUPAC Name]
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: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: -4.11
ACD/LogD (pH 5.5): -8.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 195 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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