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tert-butyl 13-[(29-azido-3,6,9,12,15,18,21,24,27-nonaoxanonacosan-1-yl)carbamoyl]tridecanoate

tert-butyl 13-[(29-azido-3,6,9,12,15,18,21,24,27-nonaoxanonacosan-1-yl)carbamoyl]tridecanoate

CAS: 1818294-45-9

Formula: C38H74N4O12

SMILES: CC(C)(C)OC(=O)CCCCCCCCCCCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-]

IUPAC: tert-butyl 13-[(29-azido-3,6,9,12,15,18,21,24,27-nonaoxanonacosan-1-yl)carbamoyl]tridecanoate

InChI: InChI=1S/C38H74N4O12/c1-38(2,3)54-37(44)15-13-11-9-7-5-4-6-8-10-12-14-36(43)40-16-18-45-20-22-47-24-26-49-28-30-51-32-34-53-35-33-52-31-29-50-27-25-48-23-21-46-19-17-41-42-39/h4-35H2,1-3H3,(H,40,43)

Composition: C (58.59%), H (9.58%), N (7.19%), O (24.64%)

Molar Mass: 779.026

Atom Count: 128

Heavy Atom Count: 54

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 778.530323839
Formal Charge 0
FSP3 0.95
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 13
Hydrogen Bond Donor Count 1
InChIKey HOMDPQVNGBQXBM-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 206.82
Topological Polar Surface Area 167.9
Polarizability 81.31
Ring Count 0
Rotatable Bond Count 45

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Purity (%)
-
Ships Within
Days
Packet Size
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 1818294-45-9 $425.25-$1,512.00$425.25$746.55$1,512.00
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