[(2R,3S,4R,5R,6S)-5-azanyl-2-(hydroxymethyl)-3-phenylmethoxy-6-prop-2-enoxy-oxan-4-yl] tetradecanoate

Systemtic Name: [(2R,3S,4R,5R,6S)-5-azanyl-2-(hydroxymethyl)-3-phenylmethoxy-6-prop-2-enoxy-oxan-4-yl] tetradecanoate Openeye Name: [(2S,3R,4R,5S,6R)-2-allyloxy-3-amino-5-benzyloxy-6-(hydroxymethyl)tetrahydropyran-4-yl] tetradecanoate CAS Name: tetradecanoic acid [(2R,3S,4R,5R,6S)-5-amino-2-(hydroxymethyl)-3-phenylmethoxy-6-prop-2-enoxy-4-oxanyl] ester IUPAC Name: [(2R,3S,4R,5R,6S)-5-amino-2-(hydroxymethyl)-3-phenylmethoxy-6-prop-2-enoxyoxan-4-yl] tetradecanoate Traditional Name: myristic acid [(2S,3R,4R,5S,6R)-2-allyloxy-3-amino-5-benzoxy-6-methylol-tetrahydropyran-4-yl] ester Formula: C30H49NO6 MolecularWeight: 519.71316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)OC1C(C(OC(C1OCC2=CC=CC=C2)CO)OCC=C)N

Isomeric SMILES

CCCCCCCCCCCCCC(=O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1OCC2=CC=CC=C2)CO)OCC=C)N

InChI

InChI=1S/C30H49NO6/c1-3-5-6-7-8-9-10-11-12-13-17-20-26(33)37-29-27(31)30(34-21-4-2)36-25(22-32)28(29)35-23-24-18-15-14-16-19-24/h4,14-16,18-19,25,27-30,32H,2-3,5-13,17,20-23,31H2,1H3/t25-,27-,28-,29-,30+/m1/s1