ChemSpider 2D Image | (2S,5R,6R)-3,3-Dimethyl-6-{[(2R)-2-(methyleneamino)-2-phenylacetyl]amino}-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate | C17H18N3O4S

(2S,5R,6R)-3,3-Dimethyl-6-{[(2R)-2-(methyleneamino)-2-phenylacetyl]amino}-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

  • Molecular FormulaC17H18N3O4S
  • Average mass360.408 Da
  • Monoisotopic mass360.102356 Da
  • ChemSpider ID21865982

  • Charge - Charge

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,5R,6R)-3,3-Dimethyl-6-{[(2R)-2-(methylenamino)-2-phenylacetyl]amino}-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-2-carboxylat [German] [ACD/IUPAC Name]
(2S,5R,6R)-3,3-Dimethyl-6-{[(2R)-2-(methyleneamino)-2-phenylacetyl]amino}-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate [ACD/IUPAC Name]
(2S,5R,6R)-3,3-Diméthyl-6-{[(2R)-2-(méthylèneamino)-2-phénylacétyl]amino}-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate [French] [ACD/IUPAC Name]
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-6-[[(2R)-2-(methyleneamino)-2-phenylacetyl]amino]-7-oxo-, ion(1-), (2S,5R,6R)- [ACD/Index Name]
(2S,5R,6R)-3,3-dimethyl-6-{[(2R)-2-(methylideneamino)-2-phenylacetyl]amino}-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
6β-[(2R)-2-(methylideneamino)-2-phenylacetamido]-2,2-dimethylpenam-3α-carboxylate
6β-[(2R)-2-(methylideneamino)-2-phenylacetamido]penicillanate
metampicillin(1-)

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.74
ACD/LogD (pH 5.5): -0.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 127 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement