9-(5-O-PHOSPHONO-ß-D-ARABINOFURANOSYL)ADENINE

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Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key UDMBCSSLTHHNCD-UHTZMRCNSA-N
Smiles Nc1ncnc2c1ncn2[C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]3O
InChI
InChI=1/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H14N5O7P
Molecular Weight 347.06
AlogP -1.86
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 4.0
Polar Surface Area 186.07
Heavy Atoms 23.0

Cross References

Resources Reference
CAS NUMBER 29984-33-6
NORMAN SUSDAT
CONTENTS