6-(1,2-dihydroxyethyl)-8-(2,3,4,5-tetrahydroxypentyl)-1,2,3,4,7,8-hexahydropteridine-2,4,7-trione

AlkaPlorer ID: AK552666

Synonym: None

IUPAC Name: 6-[(1S)-1,2-dihydroxyethyl]-8-[(2R,3R,4S)-2,3,4,5-tetrahydroxypentyl]-1H-pteridine-2,4,7-trione

Structure

SMILES: O=C1C([C@H](O)CO)=NC2=C(O)N=C(O)N=C2N1C[C@@H](O)[C@@H](O)[C@@H](O)CO

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InChI: InChI=1S/C13H18N4O9/c18-2-5(21)7-12(25)17(1-4(20)9(23)6(22)3-19)10-8(14-7)11(24)16-13(26)15-10/h4-6,9,18-23H,1-3H2,(H2,15,16,24,26)/t4-,5-,6+,9-/m1/s1

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InChIKey: VUOATQYQRKWEGA-NDDNGWRZSA-N

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Properties Information

Molecule Weight: 374.306

TPSA: 222.51

MolLogP: -4.301599999999997

Number of H-Donors: 8

Number of H-Acceptors: 13

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information