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2-{4,7-bis[2-(tert-butoxy)-2-oxoethyl]-1,4,7-triazonan-1-yl}acetic acid

2-{4,7-bis[2-(tert-butoxy)-2-oxoethyl]-1,4,7-triazonan-1-yl}acetic acid

Formula: C20H37N3O6

SMILES: CC(C)(C)OC(=O)CN1CCN(CC(O)=O)CCN(CC(=O)OC(C)(C)C)CC1

IUPAC: 2-{4,7-bis[2-(tert-butoxy)-2-oxoethyl]-1,4,7-triazonan-1-yl}acetic acid

InChI: InChI=1S/C20H37N3O6/c1-19(2,3)28-17(26)14-22-9-7-21(13-16(24)25)8-10-23(12-11-22)15-18(27)29-20(4,5)6/h7-15H2,1-6H3,(H,24,25)

Composition: C (57.81%), H (8.98%), N (10.11%), O (23.10%)

Molar Mass: 415.531

Atom Count: 66

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 415.268235923
Formal Charge 0
FSP3 0.85
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 1
InChIKey UACSRZWSADEYPK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 109.46
Topological Polar Surface Area 99.62
Polarizability 43.51
Ring Count 1
Rotatable Bond Count 10

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Purity LeadTime Formula PacketSize UnitPrice
98% <7 Days C20H37N3O6 $42.08-$1,692.35$42.08$76.67$135.58$541.37$1,692.35
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98% <10 Days C20H37N3O6 Quote Only
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