5'-S-[3-(Methylamino)propyl]-5'-thioadenosine

HCID 71363635

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 59452-68-5
Standard SMILES: CNCCCSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
InChIKey: QCFMFNJQDMUBEL-IDTAVKCVSA-N
Molecular formula: C14H22N6O3S
Average molar mass: 354.43 g/mol
Monoisotopic mass: 354.14740976

Names & identifiers

Preferred name: 5'-S-[3-(Methylamino)propyl]-5'-thioadenosine
IUPAC: (2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-[3-(methylamino)propylsulfanylmethyl]oxolane-3,4-diol

Names & synonyms

59452-68-5(2R,3R,4S,5S)-2-(6-Amino-9H-purin-9-yl)-5-(((3-(methylamino)propyl)thio)methyl)tetrahydrofuran-3,4-diol5'-S-[3-(Methylamino)propyl]-5'-thioadenosineDTXSID30787150Adenosine, 5'-S-[3-(methylamino)propyl]-5'-thio- (9CI)

Database identifiers

CAS: 59452-68-5
PubChem CID: 71363635
DTXSID: DTXSID30787150

Properties

Computed structural properties

XLogP: -0.3
Topological polar surface area: 157 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 9
Rotatable bonds: 7
Heavy atoms: 24
Formal charge: 0
Complexity: 409

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…