(2S,5R,6R)-3,3-dimethyl-7-oxo-6-(oxolane-2-carbonylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
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(2S,5R,6R)-3,3-dimethyl-7-oxo-6-(oxolane-2-carbonylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
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CAS No:
47148-14-1
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Formula:
C13H18N2O5S
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Chemical Name:
(2S,5R,6R)-3,3-dimethyl-7-oxo-6-(oxolane-2-carbonylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
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Synonyms:
4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(((tetrahydro-2-furanyl)carbonyl)amino)-, (2S-(2-alpha,5-alpha,6-beta))-;47148-14-1;BRN 0963890;DTXSID10197051
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CAS No:
(2S,5R,6R)-3,3-dimethyl-7-oxo-6-(oxolane-2-carbonylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Basic Attributes
314.36 g/mol
314.09364285 g/mol
DTXSID10197051
Computed Properties
Molecular Weight:314.36
XLogP3:0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:314.09364285
Monoisotopic Mass:314.09364285
Topological Polar Surface Area:121
Heavy Atom Count:21
Complexity:509
Defined Atom Stereocenter Count:3
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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