[2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]methylphosphonic acid

Systemtic Name: [2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]methylphosphonic acid Openeye Name: [2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl]methylphosphonic acid CAS Name: [2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)-3-oxolanyl]methylphosphonic acid IUPAC Name: [2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]methylphosphonic acid Traditional Name: (2-adenin-9-yl-4-hydroxy-5-methylol-tetrahydrofuran-3-yl)methylphosphonic acid Formula: C11H16N5O6P MolecularWeight: 345.248401

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)CP(=O)(O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)CP(=O)(O)O

InChI

InChI=1S/C11H16N5O6P/c12-9-7-10(14-3-13-9)16(4-15-7)11-5(2-23(19,20)21)8(18)6(1-17)22-11/h3-6,8,11,17-18H,1-2H2,(H2,12,13,14)(H2,19,20,21)