sodium [2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]-3-oxidanyl-propyl] 3-hexadecoxypropyl phosphate

Systemtic Name: sodium [2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]-3-oxidanyl-propyl] 3-hexadecoxypropyl phosphate Openeye Name: sodium [2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-hydroxy-propyl] 3-hexadecoxypropyl phosphate CAS Name: sodium [2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-hydroxypropyl] 3-hexadecoxypropyl phosphate IUPAC Name: sodium [2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-hydroxypropyl] 3-hexadecoxypropyl phosphate Traditional Name: sodium [2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]-3-hydroxy-propyl] 3-cetyloxypropyl phosphate Formula: C28H51N5NaO8P MolecularWeight: 639.696771

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCCCOP(=O)([O-])OCC(CO)OCN1C=NC2=C1NC(=NC2=O)N.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCOCCCOP(=O)([O-])OCC(CO)OCN1C=NC2=C1NC(=NC2=O)N.[Na+]

InChI

InChI=1S/C28H52N5O8P.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-38-18-16-19-40-42(36,37)41-21-24(20-34)39-23-33-22-30-25-26(33)31-28(29)32-27(25)35;/h22,24,34H,2-21,23H2,1H3,(H,36,37)(H3,29,31,32,35);/q;+1/p-1