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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H22N10O10P2S2.2Na
Molecular Weight 734.507
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ADU-S100

SMILES

[Na+].[Na+].NC1=NC=NC2=C1N=CN2[C@@H]3O[C@@H]4CO[P@]([S-])(=O)O[C@@H]5[C@H](O)[C@@H](CO[P@]([S-])(=O)O[C@H]4[C@H]3O)O[C@H]5N6C=NC7=C6N=CN=C7N

InChI

InChIKey=GDWOOOCBNOMMTL-ITQXCAEYSA-L
InChI=1S/C20H24N10O10P2S2.2Na/c21-15-9-17(25-3-23-15)29(5-27-9)19-12(32)13-8(38-19)2-36-42(34,44)40-14-11(31)7(1-35-41(33,43)39-13)37-20(14)30-6-28-10-16(22)24-4-26-18(10)30;;/h3-8,11-14,19-20,31-32H,1-2H2,(H,33,43)(H,34,44)(H2,21,23,25)(H2,22,24,26);;/q;2*+1/p-2/t7-,8-,11-,12-,13-,14-,19-,20-,41-,42-;;/m1../s1

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