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

Systemtic Name: bis[[5-(6-aminopurin-9-yl)-4-oxidanyl-oxolan-2-yl]methyl] hydrogen phosphate Openeye Name: bis[[5-(6-aminopurin-9-yl)-4-hydroxy-tetrahydrofuran-2-yl]methyl] hydrogen phosphate CAS Name: bis[[5-(6-aminopurin-9-yl)-4-hydroxy-2-oxolanyl]methyl] hydrogen phosphate IUPAC Name: bis[[5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methyl] hydrogen phosphate Traditional Name: bis[(5-adenin-9-yl-4-hydroxy-tetrahydrofuran-2-yl)methyl] hydrogen phosphate Formula: C20H25N10O8P MolecularWeight: 564.448461

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(C1O)N2C=NC3=C2N=CN=C3N)COP(=O)(O)OCC4CC(C(O4)N5C=NC6=C5N=CN=C6N)O

Isomeric SMILES

C1C(OC(C1O)N2C=NC3=C2N=CN=C3N)COP(=O)(O)OCC4CC(C(O4)N5C=NC6=C5N=CN=C6N)O

InChI

InChI=1S/C20H25N10O8P/c21-15-13-17(25-5-23-15)29(7-27-13)19-11(31)1-9(37-19)3-35-39(33,34)36-4-10-2-12(32)20(38-10)30-8-28-14-16(22)24-6-26-18(14)30/h5-12,19-20,31-32H,1-4H2,(H,33,34)(H2,21,23,25)(H2,22,24,26)