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tert-butyl N-(71-amino-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69-tricosaoxahenheptacontan-1-yl)carbamate

tert-butyl N-(71-amino-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69-tricosaoxahenheptacontan-1-yl)carbamate

CAS: 198227-38-2

Formula: C53H108N2O25

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

IUPAC: tert-butyl N-(71-amino-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69-tricosaoxahenheptacontan-1-yl)carbamate

InChI: InChI=1S/C53H108N2O25/c1-53(2,3)80-52(56)55-5-7-58-9-11-60-13-15-62-17-19-64-21-23-66-25-27-68-29-31-70-33-35-72-37-39-74-41-43-76-45-47-78-49-51-79-50-48-77-46-44-75-42-40-73-38-36-71-34-32-69-30-28-67-26-24-65-22-20-63-18-16-61-14-12-59-10-8-57-6-4-54/h

Composition: C (54.25%), H (9.28%), N (2.39%), O (34.09%)

Molar Mass: 1173.436

Atom Count: 188

Heavy Atom Count: 80

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 1172.724116986
Formal Charge 0
FSP3 0.98
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 25
Hydrogen Bond Donor Count 2
InChIKey VGRIANYSJNGTAN-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 296.74
Topological Polar Surface Area 276.64
Polarizability 118.09
Ring Count 0
Rotatable Bond Count 73

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 198227-38-2 $264.60-$945.00$264.60$463.05$642.60$945.00
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