(2S,3R,4S,5S,6R)-2-[4-[10,15-dibutyl-20-[4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]-21,22-dihydroporphyrin-5-yl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Systemtic Name: (2S,3R,4S,5S,6R)-2-[4-[10,15-dibutyl-20-[4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]-21,22-dihydroporphyrin-5-yl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol Openeye Name: (2S,3R,4S,5S,6R)-2-[4-[10,15-dibutyl-20-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]-21,22-dihydroporphyrin-5-yl]phenoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol CAS Name: (2S,3R,4S,5S,6R)-2-[4-[10,15-dibutyl-20-[4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]-21,22-dihydroporphyrin-5-yl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol IUPAC Name: (2S,3R,4S,5S,6R)-2-[4-[10,15-dibutyl-20-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-21,22-dihydroporphyrin-5-yl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol Traditional Name: (2S,3R,4S,5S,6R)-2-[4-[10,15-dibutyl-20-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxyphenyl]-21,22-dihydroporphin-5-yl]phenoxy]-6-methylol-tetrahydropyran-3,4,5-triol Formula: C52H58N4O12 MolecularWeight: 931.03652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C=CC(=N2)C(=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC1=N5)CCCC)C6=CC=C(C=C6)OC7C(C(C(C(O7)CO)O)O)O)N3)C8=CC=C(C=C8)OC9C(C(C(C(O9)CO)O)O)O

Isomeric SMILES

CCCCC1=C2C=CC(=N2)C(=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC1=N5)CCCC)C6=CC=C(C=C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)N3)C8=CC=C(C=C8)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O

InChI

InChI=1S/C52H58N4O12/c1-3-5-7-31-33-17-18-34(53-33)32(8-6-4-2)36-20-22-38(55-36)44(28-11-15-30(16-12-28)66-52-50(64)48(62)46(60)42(26-58)68-52)40-24-23-39(56-40)43(37-21-19-35(31)54-37)27-9-13-29(14-10-27)65-51-49(63)47(61)45(59)41(25-57)67-51/h9-24,41-42,45-52,54,56-64H,3-8,25-26H2,1-2H3/t41-,42-,45-,46-,47+,48+,49-,50-,51-,52-/m1/s1