17-[(tert-butoxycarbonyl)amino]-3,6,9,12,15-pentaoxaheptadecanoic acid

17-[(tert-butoxycarbonyl)amino]-3,6,9,12,15-pentaoxaheptadecanoic acid

CAS: 890152-41-7

Formula: C17H33NO9

SMILES: CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCC(O)=O

IUPAC: 17-{[(tert-butoxy)carbonyl]amino}-3,6,9,12,15-pentaoxaheptadecanoic acid

InChI: InChI=1S/C17H33NO9/c1-17(2,3)27-16(21)18-4-5-22-6-7-23-8-9-24-10-11-25-12-13-26-14-15(19)20/h4-14H2,1-3H3,(H,18,21)(H,19,20)

Composition: C (51.63%), H (8.41%), N (3.54%), O (36.41%)

Molar Mass: 395.449

Atom Count: 60

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	395.215531647
Formal Charge	0
FSP3	0.88
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
InChIKey	OLLNIAGWMCSEJB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	96.09
Topological Polar Surface Area	121.78
Polarizability	38.14
Ring Count	0
Rotatable Bond Count	19

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