2,5-dioxopyrrolidin-1-yl 1-[(tert-butoxycarbonyl)amino]-3,6,9,12-tetraoxapentadecan-15-oate

2,5-dioxopyrrolidin-1-yl 1-[(tert-butoxycarbonyl)amino]-3,6,9,12-tetraoxapentadecan-15-oate

CAS: 859230-20-9

Formula: C20H34N2O10

SMILES: CC(C)(C)OC(=O)NCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O

IUPAC: 2,5-dioxopyrrolidin-1-yl 1-{[(tert-butoxy)carbonyl]amino}-3,6,9,12-tetraoxapentadecan-15-oate

InChI: InChI=1S/C20H34N2O10/c1-20(2,3)31-19(26)21-7-9-28-11-13-30-15-14-29-12-10-27-8-6-18(25)32-22-16(23)4-5-17(22)24/h4-15H2,1-3H3,(H,21,26)

Composition: C (51.94%), H (7.41%), N (6.06%), O (34.59%)

Molar Mass: 462.496

Atom Count: 66

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	462.221345303
Formal Charge	0
FSP3	0.8
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	1
InChIKey	HHPGGUMKDXTEDQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	110.3
Topological Polar Surface Area	138.93
Polarizability	43.84
Ring Count	1
Rotatable Bond Count	19

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