[2-azanylethoxy-[[(2R)-2-henicosyl-1,3-dioxolan-4-yl]methoxy]phosphoryl] (2R,3R,4R)-2,3,4,5-tetrakis(oxidanyl)pentanoate

Systemtic Name: [2-azanylethoxy-[[(2R)-2-henicosyl-1,3-dioxolan-4-yl]methoxy]phosphoryl] (2R,3R,4R)-2,3,4,5-tetrakis(oxidanyl)pentanoate Openeye Name: [2-aminoethoxy-[[(2R)-2-henicosyl-1,3-dioxolan-4-yl]methoxy]phosphoryl] (2R,3R,4R)-2,3,4,5-tetrahydroxypentanoate CAS Name: (2R,3R,4R)-2,3,4,5-tetrahydroxypentanoic acid [2-aminoethoxy-[[(2R)-2-heneicosyl-1,3-dioxolan-4-yl]methoxy]phosphoryl] ester IUPAC Name: [2-aminoethoxy-[[(2R)-2-henicosyl-1,3-dioxolan-4-yl]methoxy]phosphoryl] (2R,3R,4R)-2,3,4,5-tetrahydroxypentanoate Traditional Name: (2R,3R,4R)-2,3,4,5-tetrahydroxyvaleric acid [2-aminoethoxy-[[(2R)-2-heneicosyl-1,3-dioxolan-4-yl]methoxy]phosphoryl] ester Formula: C32H64NO11P MolecularWeight: 669.824421

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC1OCC(O1)COP(=O)(OCCN)OC(=O)C(C(C(CO)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCC[C@@H]1OCC(O1)COP(=O)(OCCN)OC(=O)[C@@H]([C@@H]([C@@H](CO)O)O)O

InChI

InChI=1S/C32H64NO11P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-29-40-25-27(43-29)26-42-45(39,41-23-22-33)44-32(38)31(37)30(36)28(35)24-34/h27-31,34-37H,2-26,33H2,1H3/t27?,28-,29-,30-,31-,45?/m1/s1