(1S)-1-(9-Deazaadenin-9-yl)-1,4-dideoxy-1,4-imino-5-methylthio-D-ribitol
(2S,3S,4R,5S)-2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-(methylsulfanylmethyl)pyrrolidine-3,4-diol
Molecular Identity
(1S)-1-(9-Deazaadenin-9-yl)-1,4-dideoxy-1,4-imino-5-methylthio-D-ribitol
(2S,3S,4R,5S)-2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-(methylsulfanylmethyl)pyrrolidine-3,4-diol
PubChem CID: 446609
2D Structure
Properties
C12H17N5O2S
Molecular Formula
295.36
Molecular Weight
g/mol
295.1103
Exact Mass
Da
-1.3
XLogP
Drug-like (Lipinski: < 5)
145
TPSA
May have limited oral absorption
5
H-Bond Donors
7
H-Bond Acceptors
350
Complexity
SMILES
Canonical SMILES
SMILES: CSCC1C(C(C(N1)C2=CNC3=C2N=CN=C3N)O)OIsomeric SMILES
SMILES: CSC[C@@H]1[C@H]([C@H]([C@@H](N1)C2=CNC3=C2N=CN=C3N)O)OSynonyms(10)
CHEMBL1195586MTM(1S)-1-(9-Deazaadenin-9-yl)-1,4-dideoxy-1,4-imino-5-methylthio-D-ribitolCHEMBL5548961y6rSCHEMBL305833901k27BDBM50140797BDBM50390240(2S,3S,4R,5S)-2-(4-Amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-methylsulfanylmethyl-pyrrolidine-3,4-diol; hydrochloride
Data from PubChem (NCBI)
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Molecular Structure
(1S)-1-(9-Deazaadenin-9-yl)-1,4-dideoxy-1,4-imino-5-methylthio-D-ribitol
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Drug Network
Trials and conditions connected to (1S)-1-(9-Deazaadenin-9-yl)-1,4-dideoxy-1,4-imino-5-methylthio-D-ribitol
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