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Details

Stereochemistry ABSOLUTE
Molecular Formula C10H15N5O10P2
Molecular Weight 427.2011
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ADENOSINE DIPHOSPHATE

SMILES

NC1=NC=NC2=C1N=CN2[C@@H]3O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O

InChI

InChIKey=XTWYTFMLZFPYCI-KQYNXXCUSA-N
InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1

HIDE SMILES / InChI

Molecular Formula C10H15N5O10P2
Molecular Weight 427.2011
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
24.0 nM [EC50]
30.0 µM [EC50]
308.0 nM [IC50]
2.2 µM [IC50]

PubMed

Substance Class Chemical
Record UNII
61D2G4IYVH
Record Status Validated (UNII)
Record Version