ChemSpider 2D Image | (2S,5R,6R)-4-Hydroxy-3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4lambda~4~-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid | C16H20N2O5S

(2S,5R,6R)-4-Hydroxy-3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4λ4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

  • Molecular FormulaC16H20N2O5S
  • Average mass352.405 Da
  • Monoisotopic mass352.109283 Da
  • ChemSpider ID25058322

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,5R,6R)-4-Hydroxy-3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4λ4-thia-1-azabicyclo[3.2.0]heptan-2-carbonsäure [German] [ACD/IUPAC Name]
(2S,5R,6R)-4-Hydroxy-3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4λ4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid [ACD/IUPAC Name]
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 4,4-dihydro-4-hydroxy-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-, (2S,5R,6R)- [ACD/Index Name]
Acide (2S,5R,6R)-4-hydroxy-3,3-diméthyl-7-oxo-6-[(2-phénylacétyl)amino]-4λ4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylique [French] [ACD/IUPAC Name]
(2S,5R,6R)-4-hydroxy-3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-4λ4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
(2S,5R,6R)-4-hydroxy-3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-4λ⁴-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
N-[(2S,4S,6R)-2-(DIHYDROXYMETHYL)-4-HYDROXY-3,3-DIMETHYL-7-OXO-4λ4-THIA-1-AZABICYCLO[3.2.0]HEPT-6-YL]-2-PHENYLACETAMIDE

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.723
Molar Refractivity: 88.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#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: 107 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 73.4±7.0 dyne/cm
Molar Volume: 222.0±7.0 cm3

Click to predict properties on the Chemicalize site


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