tert-butyl 1-[(tert-butoxycarbonyl)amino]-1,4,7,10,13-pentaoxapentadecan-15-oate

tert-butyl 1-[(tert-butoxycarbonyl)amino]-1,4,7,10,13-pentaoxapentadecan-15-oate

CAS: 2062663-63-0

Formula: C19H37NO9

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

IUPAC: tert-butyl 1-{[(tert-butoxy)carbonyl]amino}-1,4,7,10,13-pentaoxapentadecan-15-oate

InChI: InChI=1S/C19H37NO9/c1-18(2,3)28-16(21)15-26-12-11-24-8-7-23-9-10-25-13-14-27-20-17(22)29-19(4,5)6/h7-15H2,1-6H3,(H,20,22)

Composition: C (53.89%), H (8.81%), N (3.31%), O (34.00%)

Molar Mass: 423.503

Atom Count: 66

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	423.246831775
Formal Charge	0
FSP3	0.89
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
InChIKey	OJGYJBJFYUIXNY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	104.98
Topological Polar Surface Area	110.78
Polarizability	42.02
Ring Count	0
Rotatable Bond Count	19

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