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(2R,3R,4R,5R)-1,2,4,5,6-pentakis[(11-{4-[2-(4-hexylphenyl)diazen-1-yl]phenoxy}undecanoyl)oxy]hexan-3-yl 11-{4-[2-(4-hexylphenyl)diazen-1-yl]phenoxy}undecanoate

(2R,3R,4R,5R)-1,2,4,5,6-pentakis[(11-{4-[2-(4-hexylphenyl)diazen-1-yl]phenoxy}undecanoyl)oxy]hexan-3-yl 11-{4-[2-(4-hexylphenyl)diazen-1-yl]phenoxy}undecanoate

CAS: 1093077-77-0

Formula: C180H254N12O18

SMILES: CCCCCCC1=CC=C(C=C1)N=NC1=CC=C(OCCCCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCCCCCOC2=CC=C(C=C2)N=NC2=CC=C(CCCCCC)C=C2)[C@@H](OC(=O)CCCCCCCCCCOC2=CC=C(C=C2)N=NC2=CC=C(CCCCCC)C=C2)[C@H](OC(=O)CCCCCCCCCCOC2=CC=C(C=C2)N=NC2=CC=C(CCCCCC)C=C2)[C@@H](COC(=O)CCCCCCCCCCOC2=CC=C(C=C2)N=NC2=CC=C(CCCCCC)C=C2)OC(=O)CCCCCCCCCCOC2=CC=C(C=C2)N=NC2=CC=C(CCCCCC)C=C2)C=C1

IUPAC: (2R,3R,4R,5R)-1,2,4,5,6-pentakis[(11-{4-[2-(4-hexylphenyl)diazen-1-yl]phenoxy}undecanoyl)oxy]hexan-3-yl 11-{4-[2-(4-hexylphenyl)diazen-1-yl]phenoxy}undecanoate

InChI: InChI=1S/C180H254N12O18/c1-7-13-19-61-79-147-91-103-153(104-92-147)181-187-159-115-127-165(128-116-159)199-139-73-55-43-31-25-37-49-67-85-173(193)205-145-171(207-175(195)87-69-51-39-27-33-45-57-75-141-201-167-131-119-161(120-132-167)189-183-155-107-95-149

Composition: C (75.22%), H (8.91%), N (5.85%), O (10.02%)

Molar Mass: 2874.078

Atom Count: 464

Heavy Atom Count: 210

Properties
Properties
Common Names N/A
Aromatic Ring Count 12
Asymmetric Atom Count 4
Exact Mass 2871.932909387
Formal Charge 0
FSP3 0.57
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 24
Hydrogen Bond Donor Count 0
InChIKey DMCHOYXACRXKRI-RDXCSIDZSA-N
Lipinski's Rule of Five
Molar Refractivity 873.24
Topological Polar Surface Area 361.5
Polarizability 332.86
Ring Count 12
Rotatable Bond Count 131

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