Name: Name:Adenosine,5'-[(3-amino-3-carboxypropyl)methylsulfonio]-5'-deoxy-, inner salt (9CI)
Brand: Angene
SKU: AG00AOZO
Rating: 90 (10 reviews)

Adenosine,5'-[(3-amino-3-carboxypropyl)methylsulfonio]-5'-deoxy-, inner salt (9CI)

CAS No.:

17176-17-9

Catalog Number:

AG00AOZO

Molecular Formula:

Molecular Weight:

Catalog Number:

AG00AOZO

Chemical Name:

Adenosine,5'-[(3-amino-3-carboxypropyl)methylsulfonio]-5'-deoxy-, inner salt (9CI)

CAS Number:

17176-17-9

MDL Number:

MFCD00871208

IUPAC Name:

2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfonio]butanoate

InChI:

InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7?,8-,10-,11-,14-,27?/m1/s1

InChI Key:

MEFKEPWMEQBLKI-YDBXVIPQSA-N

Complexity:

527

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

398.137g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

398.438g/mol

Monoisotopic Mass:

398.137g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

187A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-2.8