sodium [(2R,3R,4R)-2-methyl-3-[(E)-octadec-9-enoyl]oxy-oxan-4-yl] hydrogen phosphate

Systemtic Name: sodium [(2R,3R,4R)-2-methyl-3-[(E)-octadec-9-enoyl]oxy-oxan-4-yl] hydrogen phosphate Openeye Name: sodium [(2R,3R,4R)-2-methyl-3-[(E)-octadec-9-enoyl]oxy-tetrahydropyran-4-yl] hydrogen phosphate CAS Name: sodium [(2R,3R,4R)-2-methyl-3-[(E)-1-oxooctadec-9-enoxy]-4-oxanyl] hydrogen phosphate IUPAC Name: sodium [(2R,3R,4R)-2-methyl-3-[(E)-octadec-9-enoyl]oxyoxan-4-yl] hydrogen phosphate Traditional Name: sodium [(2R,3R,4R)-2-methyl-3-[(E)-octadec-9-enoyl]oxy-tetrahydropyran-4-yl] hydrogen phosphate Formula: C24H44NaO7P MolecularWeight: 498.565491

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC1C(OCCC1OP(=O)(O)[O-])C.[Na+]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)O[C@@H]1[C@H](OCC[C@H]1OP(=O)(O)[O-])C.[Na+]

InChI

InChI=1S/C24H45O7P.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(25)30-24-21(2)29-20-19-22(24)31-32(26,27)28;/h10-11,21-22,24H,3-9,12-20H2,1-2H3,(H2,26,27,28);/q;+1/p-1/b11-10+;/t21-,22-,24-;/m1./s1