6-{[6-carboxy-3,4,6-trihydroxy-1-(4-hydroxy-2-imino-1,2-dihydropteridin-6-yl)-5-(sulfooxy)hexan-2-yl]oxy}-2,4,5-trihydroxy-7-(4-hydroxy-2-imino-1,2-dihydropteridin-6-yl)-3-(sulfooxy)heptanoic acid
AlkaPlorer ID: AK318637
Synonym: None
IUPAC Name: None
Structure
SMILES: N=C1N=C(O)C2=C(N=CC(C[C@H](O[C@H](CC3=NC4=C(N=C3)NC(=N)N=C4O)[C@H](O)[C@H](O)[C@H](OS(=O)(=O)O)[C@@H](O)C(=O)O)[C@H](O)[C@H](O)[C@H](OS(=O)(=O)O)[C@@H](O)C(=O)O)=N2)N1
InChI: InChI=1S/C26H32N10O21S2/c27-25-33-19-9(21(43)35-25)31-5(3-29-19)1-7(11(37)13(39)17(15(41)23(45)46)56-58(49,50)51)55-8(2-6-4-30-20-10(32-6)22(44)36-26(28)34-20)12(38)14(40)18(16(42)24(47)48)57-59(52,53)54/h3-4,7-8,11-18,37-42H,1-2H2,(H,45,46)(H,47,48)(H,49,50,51)(H,52,53,54)(H3,27,29,33,35,43)(H3,28,30,34,36,44)/t7-,8+,11-,12-,13-,14-,15+,16+,17-,18-/m0/s1
InChIKey: DBPJQVALBGOYCK-GWOJUXDGSA-N
Reference
NPASS: NPC147984
Source
Properties Information
Molecule Weight: 884.7250000000006
TPSA？: 529.49
MolLogP？: -7.361060000000005
Number of H-Donors: 16
Number of H-Acceptors: 25
RingCount: 4
Activities Information
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