Forodesine
7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
Molecular Identity
Forodesine
7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
PubChem CID: 135409409
Immucillin H is a pyrrolopyrimidine and a dihydroxypyrrolidine.
2D Structure
Properties
C11H14N4O4
Molecular Formula
266.25
Molecular Weight
g/mol
266.1015
Exact Mass
Da
-2.3
XLogP
Drug-like (Lipinski: < 5)
130
TPSA
Good oral absorption (< 140 A²)
6
H-Bond Donors
6
H-Bond Acceptors
404
Complexity
SMILES
Canonical SMILES
SMILES: C1=C(C2=C(N1)C(=O)NC=N2)C3C(C(C(N3)CO)O)OIsomeric SMILES
SMILES: C1=C(C2=C(N1)C(=O)NC=N2)[C@H]3[C@@H]([C@@H]([C@H](N3)CO)O)OSynonyms(20)
Forodesine209799-67-7Immucillin HFodosineImmucillin-HmundesineBCX-17771,4-dideoxy-4-aza-1-(s)-(9-deazahypoxanthin-9-yl)-d-ribitolImmH cpdForodesina426X066ELK(1S)-1,4-dideoxy-4-imino-(9-deazahypoxanthin-9-yl)-D-ribitolNSC-7179041-(9-deazahypoxanthin-9-yl)-1,4-dideoxy-1,4-iminoribitolCHEBI:43362
Data from PubChem (NCBI)
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