[(2R,3S,4R,5R)-3-heptadecanoyloxy-4-oxidanyl-5-(6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methyl octadecanoate

Systemtic Name: [(2R,3S,4R,5R)-3-heptadecanoyloxy-4-oxidanyl-5-(6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methyl octadecanoate Openeye Name: [(2R,3S,4R,5R)-3-heptadecanoyloxy-4-hydroxy-5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl octadecanoate CAS Name: octadecanoic acid [(2R,3S,4R,5R)-4-hydroxy-3-(1-oxoheptadecoxy)-5-(6-oxo-3H-purin-9-yl)-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,4R,5R)-3-heptadecanoyloxy-4-hydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl octadecanoate Traditional Name: stearic acid [(2R,3S,4R,5R)-3-heptadecanoyloxy-4-hydroxy-5-(6-keto-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl ester Formula: C45H78N4O7 MolecularWeight: 787.12342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC1C(C(C(O1)N2C=NC3=C2NC=NC3=O)O)OC(=O)CCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2NC=NC3=O)O)OC(=O)CCCCCCCCCCCCCCCC

InChI

InChI=1S/C45H78N4O7/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-38(50)54-34-37-42(41(52)45(55-37)49-36-48-40-43(49)46-35-47-44(40)53)56-39(51)33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h35-37,41-42,45,52H,3-34H2,1-2H3,(H,46,47,53)/t37-,41-,42-,45-/m1/s1