2,5-dioxopyrrolidin-1-yl 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92,95,98,101,104,107,110-heptatriacontaoxa-113n-113-oate

2,5-dioxopyrrolidin-1-yl 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92,95,98,101,104,107,110-heptatriacontaoxa-113n-113-oate

CAS: 174569-25-6

Formula: C80H155NO41

SMILES: COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O

IUPAC: 2,5-dioxopyrrolidin-1-yl 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92,95,98,101,104,107,110-heptatriacontaoxa-113n-113-oate

InChI: InChI=1S/C80H155NO41/c1-85-6-7-87-10-11-89-14-15-91-18-19-93-22-23-95-26-27-97-30-31-99-34-35-101-38-39-103-42-43-105-46-47-107-50-51-109-54-55-111-58-59-113-62-63-115-66-67-117-70-71-119-74-75-121-77-76-120-73-72-118-69-68-116-65-64-114-61-60-112-57-56-1

Composition: C (53.77%), H (8.74%), N (0.78%), O (36.71%)

Molar Mass: 1787.086

Atom Count: 277

Heavy Atom Count: 122

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	1786.007453415
Formal Charge	0
FSP3	0.96
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	40
Hydrogen Bond Donor Count	0
InChIKey	ACOTVRARFKQDPT-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	441.92
Topological Polar Surface Area	405.19
Polarizability	175.81
Ring Count	1
Rotatable Bond Count	113

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