[(2R,3S,4R,5S,6S)-5-azanyl-6-[(2R,3R,4R,5S,6S)-6-methyl-2,4,5-tris(phenylmethoxy)oxan-3-yl]oxy-3,4-bis(phenylcarbonyloxy)oxan-2-yl]methyl benzoate

Systemtic Name: [(2R,3S,4R,5S,6S)-5-azanyl-6-[(2R,3R,4R,5S,6S)-6-methyl-2,4,5-tris(phenylmethoxy)oxan-3-yl]oxy-3,4-bis(phenylcarbonyloxy)oxan-2-yl]methyl benzoate Openeye Name: [(2R,3S,4R,5S,6S)-5-amino-3,4-dibenzoyloxy-6-[(2R,3R,4R,5S,6S)-2,4,5-tribenzyloxy-6-methyl-tetrahydropyran-3-yl]oxy-tetrahydropyran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3S,4R,5S,6S)-5-amino-3,4-dibenzoyloxy-6-[[(2R,3R,4R,5S,6S)-6-methyl-2,4,5-tris(phenylmethoxy)-3-oxanyl]oxy]-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4R,5S,6S)-5-amino-3,4-dibenzoyloxy-6-[(2R,3R,4R,5S,6S)-6-methyl-2,4,5-tris(phenylmethoxy)oxan-3-yl]oxyoxan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3S,4R,5S,6S)-5-amino-3,4-dibenzoyloxy-6-[(2R,3R,4R,5S,6S)-2,4,5-tribenzoxy-6-methyl-tetrahydropyran-3-yl]oxy-tetrahydropyran-2-yl]methyl ester Formula: C54H53NO12 MolecularWeight: 907.99812

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OCC2=CC=CC=C2)OC3C(C(C(C(O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)N)OCC7=CC=CC=C7)OCC8=CC=CC=C8

Isomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OCC2=CC=CC=C2)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)N)OCC7=CC=CC=C7)OCC8=CC=CC=C8

InChI

InChI=1S/C54H53NO12/c1-36-45(59-32-37-20-8-2-9-21-37)48(60-33-38-22-10-3-11-23-38)49(54(63-36)62-34-39-24-12-4-13-25-39)67-53-44(55)47(66-52(58)42-30-18-7-19-31-42)46(65-51(57)41-28-16-6-17-29-41)43(64-53)35-61-50(56)40-26-14-5-15-27-40/h2-31,36,43-49,53-54H,32-35,55H2,1H3/t36-,43+,44-,45-,46+,47+,48+,49+,53-,54+/m0/s1