Sapropterin
(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one
Molecular Identity
Sapropterin
(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one
PubChem CID: 135398654
Sapropterin is a tetrahydropterin that is 2-amino-5,6,7,8-tetrahydropteridin-4(3H)-one in which a hydrogen at position 6 is substituted by a 1,2-dihydroxypropyl group (6R,1'R,2'S-enantiomer). It has a role as a coenzyme, a cofactor, a diagnostic agent and a human metabolite.
2D Structure
Properties
C9H15N5O3
Molecular Formula
241.25
Molecular Weight
g/mol
241.1175
Exact Mass
Da
-1.9
XLogP
Drug-like (Lipinski: < 5)
132
TPSA
Good oral absorption (< 140 A²)
6
H-Bond Donors
6
H-Bond Acceptors
405
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Sapropterin62989-33-7R-THBPDapropterinSapropterinaSapropterinum6R-BH4(6R)-L-erythro-tetrahydrobiopterin6R-5,6,7,8-Tetrahydrobiopterin6R-L-5,6,7,8-TetrahydrobiopterinsapropterineEGX657432I(6R)-L-erythro-5,6,7,8-Tetrahydrobiopterin(-)-(6R)-2-Amino-6-((1R,2S)-1,2-dihydroxypropyl)-5,6,7,8-tetrahydro-4(3H)-pteridinone(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydropteridin-4(3H)-one
Data from PubChem (NCBI)
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