U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H24N10O10P2S2
Molecular Weight 690.543
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ADU-S100 FREE ACID

SMILES

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=IZJJFUQKKZFVLH-YBVMPXGUSA-N
InChI=1S/C20H24N10O10P2S2/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)/t7-,8-,11-,12-,13-,14-,19-,20-,41-,42-/m1/s1

HIDE SMILES / InChI

Originator

Approval Year

Targets

Primary TargetPharmacologyConditionPotency

PubMed

Patents