[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-[[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxidanyl-phosphoryl]oxy-phosphoryl]boron(1-)

Systemtic Name: [[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-[[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxidanyl-phosphoryl]oxy-phosphoryl]boron(1-) Openeye Name: [[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-[hydroxy-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phosphoryl]oxy-phosphoryl]boron(1-) CAS Name: [[5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-[hydroxy-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phosphoryl]oxyphosphoryl]boron(1-) IUPAC Name: [[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[hydroxy-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphosphoryl]oxyphosphoryl]boron(1-) Traditional Name: [(5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl)methoxy-[hydroxy-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)oxy-phosphoryl]oxy-phosphoryl]boron(1-) Formula: C16H24BN5O14P2- MolecularWeight: 583.145382

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Descriptors Computed from Structure

Canonical SMILES:

[B-]P(=O)(OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O)OP(=O)(O)OC4C(C(C(C(O4)CO)O)O)O

Isomeric SMILES

[B-]P(=O)(OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O)OP(=O)(O)OC4C(C(C(C(O4)CO)O)O)O

InChI

InChI=1S/C16H24BN5O14P2/c17-37(29,36-38(30,31)35-16-12(28)10(26)8(24)5(1-23)34-16)32-2-6-9(25)11(27)15(33-6)22-4-21-7-13(18)19-3-20-14(7)22/h3-6,8-12,15-16,23-28H,1-2H2,(H,30,31)(H2,18,19,20)/q-1