sodium [5-(hydroxymethyl)-2-[4-(octadecanoylamino)-2-oxidanylidene-pyrimidin-1-yl]-4-oxidanyl-oxolan-3-yl] hydrogen phosphate

Systemtic Name: sodium [5-(hydroxymethyl)-2-[4-(octadecanoylamino)-2-oxidanylidene-pyrimidin-1-yl]-4-oxidanyl-oxolan-3-yl] hydrogen phosphate Openeye Name: sodium [4-hydroxy-5-(hydroxymethyl)-2-[4-(octadecanoylamino)-2-oxo-pyrimidin-1-yl]tetrahydrofuran-3-yl] hydrogen phosphate CAS Name: sodium [4-hydroxy-5-(hydroxymethyl)-2-[2-oxo-4-(1-oxooctadecylamino)-1-pyrimidinyl]-3-oxolanyl] hydrogen phosphate IUPAC Name: sodium [4-hydroxy-5-(hydroxymethyl)-2-[4-(octadecanoylamino)-2-oxopyrimidin-1-yl]oxolan-3-yl] hydrogen phosphate Traditional Name: sodium [4-hydroxy-2-(2-keto-4-stearamido-pyrimidin-1-yl)-5-methylol-tetrahydrofuran-3-yl] hydrogen phosphate Formula: C27H47N3NaO9P MolecularWeight: 611.640311

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)C2C(C(C(O2)CO)O)OP(=O)(O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)C2C(C(C(O2)CO)O)OP(=O)(O)[O-].[Na+]

InChI

InChI=1S/C27H48N3O9P.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(32)28-22-18-19-30(27(34)29-22)26-25(39-40(35,36)37)24(33)21(20-31)38-26;/h18-19,21,24-26,31,33H,2-17,20H2,1H3,(H2,35,36,37)(H,28,29,32,34);/q;+1/p-1