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tert-butyl 5-[(29-azido-3,6,9,12,15,18,21,24,27-nonaoxanonacosan-1-yl)carbamoyl]pentanoate

tert-butyl 5-[(29-azido-3,6,9,12,15,18,21,24,27-nonaoxanonacosan-1-yl)carbamoyl]pentanoate

CAS: 1818294-45-9

Formula: C30H58N4O12

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

IUPAC: tert-butyl 5-[(29-azido-3,6,9,12,15,18,21,24,27-nonaoxanonacosan-1-yl)carbamoyl]pentanoate

InChI: InChI=1S/C30H58N4O12/c1-30(2,3)46-29(36)7-5-4-6-28(35)32-8-10-37-12-14-39-16-18-41-20-22-43-24-26-45-27-25-44-23-21-42-19-17-40-15-13-38-11-9-33-34-31/h4-27H2,1-3H3,(H,32,35)

Composition: C (54.04%), H (8.77%), N (8.40%), O (28.79%)

Molar Mass: 666.81

Atom Count: 104

Heavy Atom Count: 46

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 666.405123324
Formal Charge 0
FSP3 0.93
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 13
Hydrogen Bond Donor Count 1
InChIKey MROUPDBSTXCBAS-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 170.01
Topological Polar Surface Area 167.9
Polarizability 66.68
Ring Count 0
Rotatable Bond Count 37

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Purity (%)
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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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