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1-azido-27-{[(tert-butoxycarbonyl)amino]amino}-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-one

1-azido-27-{[(tert-butoxycarbonyl)amino]amino}-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-one

CAS: 2353410-12-3

Formula: C24H47N5O11

SMILES: CC(C)(C)OC(=O)NNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-]

IUPAC: 1-azido-27-({[(tert-butoxy)carbonyl]amino}amino)-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-one

InChI: InChI=1S/C24H47N5O11/c1-24(2,3)40-23(31)28-27-22(30)4-6-32-8-10-34-12-14-36-16-18-38-20-21-39-19-17-37-15-13-35-11-9-33-7-5-26-29-25/h4-21H2,1-3H3,(H,27,30)(H,28,31)

Composition: C (49.56%), H (8.14%), N (12.04%), O (30.26%)

Molar Mass: 581.664

Atom Count: 87

Heavy Atom Count: 40

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 581.327207353
Formal Charge 0
FSP3 0.92
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 12
Hydrogen Bond Donor Count 2
InChIKey WNTLGLUTEJUSLF-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 143.8
Topological Polar Surface Area 170.7
Polarizability 56.15
Ring Count 0
Rotatable Bond Count 30

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Purity (%)
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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 2353410-12-3 $453.60-$1,067.85$453.60$737.10$1,067.85
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