[[5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]-diethoxy-methyl]phosphonic acid

Systemtic Name: [[5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]-diethoxy-methyl]phosphonic acid Openeye Name: [[5-(6-aminopurin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl]-diethoxy-methyl]phosphonic acid CAS Name: [[5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-3-oxolanyl]-diethoxymethyl]phosphonic acid IUPAC Name: [[5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]-diethoxymethyl]phosphonic acid Traditional Name: [(5-adenin-9-yl-2-methylol-tetrahydrofuran-3-yl)-diethoxy-methyl]phosphonic acid Formula: C15H24N5O7P MolecularWeight: 417.354121

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C1CC(OC1CO)N2C=NC3=C2N=CN=C3N)(OCC)P(=O)(O)O

Isomeric SMILES

CCOC(C1CC(OC1CO)N2C=NC3=C2N=CN=C3N)(OCC)P(=O)(O)O

InChI

InChI=1S/C15H24N5O7P/c1-3-25-15(26-4-2,28(22,23)24)9-5-11(27-10(9)6-21)20-8-19-12-13(16)17-7-18-14(12)20/h7-11,21H,3-6H2,1-2H3,(H2,16,17,18)(H2,22,23,24)