ChemSpider 2D Image | (2R,5R,6S)-3,3-Dimethyl-7-oxo-6-{[{[(2-oxo-1-imidazolidinyl)carbonyl]amino}(phenyl)acetyl]amino}-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid | C20H23N5O6S

(2R,5R,6S)-3,3-Dimethyl-7-oxo-6-{[{[(2-oxo-1-imidazolidinyl)carbonyl]amino}(phenyl)acetyl]amino}-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

  • Molecular FormulaC20H23N5O6S
  • Average mass461.491 Da
  • Monoisotopic mass461.136902 Da
  • ChemSpider ID21258240

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(2R,5R,6S)-3,3-Dimethyl-7-oxo-6-{[{[(2-oxo-1-imidazolidinyl)carbonyl]amino}(phenyl)acetyl]amino}-4-thia-1-azabicyclo[3.2.0]heptan-2-carbonsäure [German] [ACD/IUPAC Name]
(2R,5R,6S)-3,3-Dimethyl-7-oxo-6-{[{[(2-oxo-1-imidazolidinyl)carbonyl]amino}(phenyl)acetyl]amino}-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid [ACD/IUPAC Name]
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[[2-[[(2-oxo-1-imidazolidinyl)carbonyl]amino]-2-phenylacetyl]amino]-, (2R,5R,6S)- [ACD/Index Name]
Acide (2R,5R,6S)-3,3-diméthyl-7-oxo-6-[(2-{[(2-oxo-1-imidazolidinyl)carbonyl]amino}-2-phénylacétyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylique [French] [ACD/IUPAC Name]

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: 1.697
Molar Refractivity: 114.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -0.34
ACD/LogD (pH 5.5): -2.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 173 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 83.6±5.0 dyne/cm
Molar Volume: 296.6±5.0 cm3

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