sodium [(2S)-1-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-propan-2-yl]oxymethyl-(3-octadecoxypropoxy)phosphinate

Systemtic Name: sodium [(2S)-1-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-propan-2-yl]oxymethyl-(3-octadecoxypropoxy)phosphinate Openeye Name: sodium [(1S)-1-[(4-amino-2-oxo-pyrimidin-1-yl)methyl]-2-hydroxy-ethoxy]methyl-(3-octadecoxypropoxy)phosphinate CAS Name: sodium [(2S)-1-(4-amino-2-oxo-1-pyrimidinyl)-3-hydroxypropan-2-yl]oxymethyl-(3-octadecoxypropoxy)phosphinate IUPAC Name: sodium [(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-(3-octadecoxypropoxy)phosphinate Traditional Name: sodium [(1S)-1-[(4-amino-2-keto-pyrimidin-1-yl)methyl]-2-hydroxy-ethoxy]methyl-(3-stearyloxypropoxy)phosphinate Formula: C29H55N3NaO7P MolecularWeight: 611.726431

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCCCOP(=O)(COC(CN1C=CC(=NC1=O)N)CO)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCCCOP(=O)(CO[C@@H](CN1C=CC(=NC1=O)N)CO)[O-].[Na+]

InChI

InChI=1S/C29H56N3O7P.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-37-22-18-23-39-40(35,36)26-38-27(25-33)24-32-20-19-28(30)31-29(32)34;/h19-20,27,33H,2-18,21-26H2,1H3,(H,35,36)(H2,30,31,34);/q;+1/p-1/t27-;/m0./s1