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1,31-di-tert-butyl 16-{2-[2-(2-azidoethoxy)ethoxy]ethyl}-4,7,10,13,19,22,25,28-octaoxa-16-azahentriacontanedioate

1,31-di-tert-butyl 16-{2-[2-(2-azidoethoxy)ethoxy]ethyl}-4,7,10,13,19,22,25,28-octaoxa-16-azahentriacontanedioate

CAS: 2112731-81-2

Formula: C36H70N4O14

SMILES: CC(C)(C)OC(=O)CCOCCOCCOCCOCCN(CCOCCOCCOCCOCCC(=O)OC(C)(C)C)CCOCCOCCN=[N+]=[N-]

IUPAC: 1,31-di-tert-butyl 16-{2-[2-(2-azidoethoxy)ethoxy]ethyl}-4,7,10,13,19,22,25,28-octaoxa-16-azahentriacontanedioate

InChI: InChI=1S/C36H70N4O14/c1-35(2,3)53-33(41)7-13-43-19-25-49-29-31-51-27-23-47-17-11-40(10-16-46-22-21-45-15-9-38-39-37)12-18-48-24-28-52-32-30-50-26-20-44-14-8-34(42)54-36(4,5)6/h7-32H2,1-6H3

Composition: C (55.23%), H (9.01%), N (7.16%), O (28.61%)

Molar Mass: 782.97

Atom Count: 124

Heavy Atom Count: 54

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 782.48885295
Formal Charge 0
FSP3 0.94
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 15
Hydrogen Bond Donor Count 0
InChIKey QMUHVUPHHRSFNU-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 201.73
Topological Polar Surface Area 177.57
Polarizability 79.49
Ring Count 0
Rotatable Bond Count 43

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Purity (%)
-
Ships Within
Days
Packet Size
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 2112731-81-2 $302.40-$926.10$302.40$548.10$926.10
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