2,5-dioxopyrrolidin-1-yl 1-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-oate

2,5-dioxopyrrolidin-1-yl 1-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-oate

CAS: 2183440-34-6

Formula: C32H47N5O13

SMILES: CC1=NN=C(N=N1)C1=CC=C(OCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)ON2C(=O)CCC2=O)C=C1

IUPAC: 2,5-dioxopyrrolidin-1-yl 1-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-oate

InChI: InChI=1S/C32H47N5O13/c1-26-33-35-32(36-34-26)27-2-4-28(5-3-27)49-25-24-48-23-22-47-21-20-46-19-18-45-17-16-44-15-14-43-13-12-42-11-10-41-9-8-31(40)50-37-29(38)6-7-30(37)39/h2-5H,6-25H2,1H3

Composition: C (54.15%), H (6.68%), N (9.87%), O (29.30%)

Molar Mass: 709.75

Atom Count: 97

Heavy Atom Count: 50

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	709.317036593
Formal Charge	0
FSP3	0.66
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	16
Hydrogen Bond Donor Count	0
InChIKey	HBEBYIRKMRTDSK-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	189.61
Topological Polar Surface Area	198.31
Polarizability	69
Ring Count	3
Rotatable Bond Count	31

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