[(1R,2S,3R,4R,5S,6S)-2-{[(2S)-2-amino-3-hydroxypropanoyl]oxy}-5-{[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}-4,6-dihydroxycyclohexyl]oxidanesulfonic acid
AlkaPlorer ID: AK318666
Synonym: None
IUPAC Name: None
Structure
SMILES: NC1=C2N=CN([C@@H]3O[C@@H](CO[C@@H]4[C@@H](O)[C@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5N)[C@H](O)[C@@H](OS(=O)(=O)O)[C@H]4OC(=O)[C@@H](N)CO)[C@H](O)[C@H]3O)C2=NC=N1
InChI: InChI=1S/C25H39N7O18S/c26-6(1-33)24(41)48-20-18(45-3-8-12(36)14(38)23(46-8)32-5-31-10-21(28)29-4-30-22(10)32)15(39)17(16(40)19(20)50-51(42,43)44)49-25-9(27)13(37)11(35)7(2-34)47-25/h4-9,11-20,23,25,33-40H,1-3,26-27H2,(H2,28,29,30)(H,42,43,44)/t6-,7+,8-,9+,11+,12-,13+,14+,15-,16-,17-,18+,19+,20-,23+,25+/m0/s1
InChIKey: UXRHCHSWRDOIED-MWSDJNOJSA-N
Source
Properties Information
Molecule Weight: 757.6850000000002
TPSA？: 410.32
MolLogP？: -8.28080000000001
Number of H-Donors: 12
Number of H-Acceptors: 24
RingCount: 5
Activities Information
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