but-2-ynyl (7S)-4-amino-7-hydroxy-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-3-carboxylate


Chemical Name: but-2-ynyl (7S)-4-amino-7-hydroxy-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-3-carboxylate
CAS Number: 160296-13-9
Product Number: AG00APVM(AGN-PC-00QXRB)
Synonyms:
MDL No:
Molecular Formula: C17H18N2O3S
Molecular Weight: 330.4014

Identification/Properties


Computed Properties
Molecular Weight:
330.402g/mol
XLogP3:
3
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
3
Exact Mass:
330.104g/mol
Monoisotopic Mass:
330.104g/mol
Topological Polar Surface Area:
114A^2
Heavy Atom Count:
23
Formal Charge:
0
Complexity:
528
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


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