Neopterin
2-amino-6-[(1S,2R)-1,2,3-trihydroxypropyl]-3H-pteridin-4-one
Molecular Identity
Neopterin
2-amino-6-[(1S,2R)-1,2,3-trihydroxypropyl]-3H-pteridin-4-one
PubChem CID: 135398721
D-erythro-neopterin is a neopterin that has 1S,2R-configuration.
2D Structure
Properties
C9H11N5O4
Molecular Formula
253.22
Molecular Weight
g/mol
253.0811
Exact Mass
Da
-3.5
XLogP
Drug-like (Lipinski: < 5)
154
TPSA
May have limited oral absorption
5
H-Bond Donors
7
H-Bond Acceptors
363
Complexity
SMILES
Canonical SMILES
SMILES: C1=C(N=C2C(=O)NC(=NC2=N1)N)C(C(CO)O)OIsomeric SMILES
SMILES: C1=C(N=C2C(=O)NC(=NC2=N1)N)[C@@H]([C@@H](CO)O)OSynonyms(20)
neopterin2009-64-5D-NeopterinD-erythro-Neopterin6-D-erythro-Neopterin9PLD60N7SO6-(D-erythro-1,2,3-Trihydroxypropyl)pterin2-amino-6-[(1S,2R)-1,2,3-trihydroxypropyl]-1H-pteridin-4-oneDTXSID908628112-AMINO-6-[(1S,2R)-1,2,3-TRIHYDROXYPROPYL]-3H-PTERIDIN-4-ONE[S-(R*,S*)]-2-Amino-6-(1,2,3-trihydroxypropyl)-1H-pteridin-4-on670-65-52-amino-6-((1S,2R)-1,2,3-trihydroxypropyl)-1H-pteridin-4-one2-amino-6-((1S,2R)-1,2,3-trihydroxypropyl)-3H-pteridin-4-one(S-(R*,S*))-2-Amino-6-(1,2,3-trihydroxypropyl)-1H-pteridin-4-on
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Neopterin
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