(1S)-1-[(4S,5S)-2,2-dimethyl-5-[10,15,20-tris[(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-23,24-dihydroporphyrin-5-yl]-1,3-dioxolan-4-yl]ethane-1,2-diol

Systemtic Name: (1S)-1-[(4S,5S)-2,2-dimethyl-5-[10,15,20-tris[(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-23,24-dihydroporphyrin-5-yl]-1,3-dioxolan-4-yl]ethane-1,2-diol Openeye Name: (1S)-1-[(4S,5S)-2,2-dimethyl-5-[10,15,20-tris[(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-23,24-dihydroporphyrin-5-yl]-1,3-dioxolan-4-yl]ethane-1,2-diol CAS Name: (1S)-1-[(4S,5S)-2,2-dimethyl-5-[10,15,20-tris[(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-23,24-dihydroporphyrin-5-yl]-1,3-dioxolan-4-yl]ethane-1,2-diol IUPAC Name: (1S)-1-[(4S,5S)-2,2-dimethyl-5-[10,15,20-tris[(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-23,24-dihydroporphyrin-5-yl]-1,3-dioxolan-4-yl]ethane-1,2-diol Traditional Name: (1S)-1-[(4S,5S)-2,2-dimethyl-5-[10,15,20-tris[(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-23,24-dihydroporphin-5-yl]-1,3-dioxolan-4-yl]ethane-1,2-diol Formula: C57H74N4O16 MolecularWeight: 1071.21466

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(O1)C2C(OC(O2)(C)C)C3=C4C=CC(=C(C5=CC=C(N5)C(=C6C=CC(=N6)C(=C7C=CC3=N7)C8C(OC(O8)(C)C)C(CO)O)C9C(OC(O9)(C)C)C1COC(O1)(C)C)C1C(OC(O1)(C)C)C1COC(O1)(C)C)N4)C

Isomeric SMILES

CC1(OC[C@H](O1)[C@H]2[C@@H](OC(O2)(C)C)C3=C4C=CC(=C(C5=CC=C(N5)C(=C6C=CC(=N6)C(=C7C=CC3=N7)[C@H]8[C@@H](OC(O8)(C)C)[C@H](CO)O)[C@H]9[C@@H](OC(O9)(C)C)[C@@H]1COC(O1)(C)C)[C@H]1[C@@H](OC(O1)(C)C)[C@@H]1COC(O1)(C)C)N4)C

InChI

InChI=1S/C57H74N4O16/c1-51(2)64-24-36(67-51)44-48(75-55(9,10)71-44)40-29-17-15-27(58-29)39(47-43(35(63)23-62)70-54(7,8)74-47)28-16-18-30(59-28)41(49-45(72-56(11,12)76-49)37-25-65-52(3,4)68-37)32-20-22-34(61-32)42(33-21-19-31(40)60-33)50-46(73-57(13,14)77-50)38-26-66-53(5,6)69-38/h15-22,35-38,43-50,60-63H,23-26H2,1-14H3/t35-,36-,37-,38-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1