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2,5-dioxopyrrolidin-1-yl 2,5,8,11,14,17,20,23,26,29,32,35-dodecaoxaoctatriacontan-38-oate

2,5-dioxopyrrolidin-1-yl 2,5,8,11,14,17,20,23,26,29,32,35-dodecaoxaoctatriacontan-38-oate

CAS: 2207596-93-6174569-25-6

Formula: C30H55NO16

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

IUPAC: 2,5-dioxopyrrolidin-1-yl 2,5,8,11,14,17,20,23,26,29,32,35-dodecaoxaoctatriacontan-38-oate

InChI: InChI=1S/C30H55NO16/c1-35-6-7-37-10-11-39-14-15-41-18-19-43-22-23-45-26-27-46-25-24-44-21-20-42-17-16-40-13-12-38-9-8-36-5-4-30(34)47-31-28(32)2-3-29(31)33/h2-27H2,1H3

Composition: C (52.54%), H (8.08%), N (2.04%), O (37.33%)

Molar Mass: 685.761

Atom Count: 102

Heavy Atom Count: 47

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 685.352084695
Formal Charge 0
FSP3 0.9
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 15
Hydrogen Bond Donor Count 0
InChIKey ZMXRHHJWXLKMTL-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 165.83
Topological Polar Surface Area 174.44
Polarizability 65.99
Ring Count 1
Rotatable Bond Count 38

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