2-[[5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]ethanoic acid

Systemtic Name: 2-[[5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]ethanoic acid Openeye Name: 2-[[5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]acetic acid CAS Name: 2-[[5-(6-aminopurin-9-yl)-3-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]acetic acid IUPAC Name: 2-[[5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]acetic acid Traditional Name: 2-[(5-adenin-9-yl-3-hydroxy-tetrahydrofuran-2-yl)methoxy-hydroxy-phosphoryl]acetic acid Formula: C12H16N5O7P MolecularWeight: 373.258501

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2N=CN=C3N)COP(=O)(CC(=O)O)O)O

Isomeric SMILES

C1C(C(OC1N2C=NC3=C2N=CN=C3N)COP(=O)(CC(=O)O)O)O

InChI

InChI=1S/C12H16N5O7P/c13-11-10-12(15-4-14-11)17(5-16-10)8-1-6(18)7(24-8)2-23-25(21,22)3-9(19)20/h4-8,18H,1-3H2,(H,19,20)(H,21,22)(H2,13,14,15)