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1217725-88-6

1217725-88-6 structural image
Product Name: (2S,4S)-1-(TERT-BUTOXYCARBONYL)-4-[4-(TERT-PENTYL)PHENOXY]-2-PYRROLIDINECARBOXYLIC ACID
Formula: C21H31NO5
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COMPUTED DESCRIPTORS

Molecular Weight 377.5 g/mol
XLogP3 4.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 7
Exact Mass 377.22022309 g/mol
Monoisotopic Mass 377.22022309 g/mol
Topological Polar Surface Area 76.1 Ų
Heavy Atom Count 27
Formal Charge 0
Complexity 531
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

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