Molecules/7,8-dimethyl-2,4-dioxo-10-[(2S,3S,4R)-2,3,4-trihydroxy-5-phosphonooxypentyl]-1H-benzo[g]pteridine-5-sulfonic acid
7,8-dimethyl-2,4-dioxo-10-[(2S,3S,4R)-2,3,4-trihydroxy-5-phosphonooxypentyl]-1H-benzo[g]pteridine-5-sulfonic acid
7,8-dimethyl-2,4-dioxo-10-[(2S,3S,4R)-2,3,4-trihydroxy-5-phosphonooxypentyl]-1H-benzo[g]pteridine-5-sulfonic acid
Molecular Identity
7,8-dimethyl-2,4-dioxo-10-[(2S,3S,4R)-2,3,4-trihydroxy-5-phosphonooxypentyl]-1H-benzo[g]pteridine-5-sulfonic acid
7,8-dimethyl-2,4-dioxo-10-[(2S,3S,4R)-2,3,4-trihydroxy-5-phosphonooxypentyl]-1H-benzo[g]pteridine-5-sulfonic acid
PubChem CID: 448076
2D Structure
Properties
C17H23N4O12PS
Molecular Formula
538.40
Molecular Weight
g/mol
538.0771
Exact Mass
Da
-3.1
XLogP
Drug-like (Lipinski: < 5)
255
TPSA
May have limited oral absorption
8
H-Bond Donors
14
H-Bond Acceptors
1040
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC2=C(C=C1C)N(C3=C(N2CC(C(C(COP(=O)(O)O)O)O)O)NC(=O)NC3=O)S(=O)(=O)OIsomeric SMILES
SMILES: CC1=CC2=C(C=C1C)N(C3=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC3=O)S(=O)(=O)OSynonyms(1)
FNS
Data from PubChem (NCBI)
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Molecular Structure
7,8-dimethyl-2,4-dioxo-10-[(2S,3S,4R)-2,3,4-trihydroxy-5-phosphonooxypentyl]-1H-benzo[g]pteridine-5-sulfonic acid
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Drug Network
Trials and conditions connected to 7,8-dimethyl-2,4-dioxo-10-[(2S,3S,4R)-2,3,4-trihydroxy-5-phosphonooxypentyl]-1H-benzo[g]pteridine-5-sulfonic acid
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