[5-[(6-aminopurin-9-yl)methyl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate

Systemtic Name: [5-[(6-aminopurin-9-yl)methyl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate Openeye Name: [5-[(6-aminopurin-9-yl)methyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate CAS Name: [5-[(6-aminopurin-9-yl)methyl]-3,4-dihydroxy-2-oxolanyl]methyl dihydrogen phosphate IUPAC Name: [5-[(6-aminopurin-9-yl)methyl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate Traditional Name: [5-(adenin-9-ylmethyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate Formula: C11H16N5O7P MolecularWeight: 361.247801

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2CC3C(C(C(O3)COP(=O)(O)O)O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2CC3C(C(C(O3)COP(=O)(O)O)O)O

InChI

InChI=1S/C11H16N5O7P/c12-10-7-11(14-3-13-10)16(4-15-7)1-5-8(17)9(18)6(23-5)2-22-24(19,20)21/h3-6,8-9,17-18H,1-2H2,(H2,12,13,14)(H2,19,20,21)