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N-(2-{2-[2-(2-azidoethoxy)ethoxy]ethoxy}ethyl)-5-(1,2-dithiolan-3-yl)pentanamide

N-(2-{2-[2-(2-azidoethoxy)ethoxy]ethoxy}ethyl)-5-(1,2-dithiolan-3-yl)pentanamide

CAS: 890016-39-4

Formula: C16H30N4O4S2

SMILES: [N-]=[N+]=NCCOCCOCCOCCNC(=O)CCCCC1CCSS1

IUPAC: N-(2-{2-[2-(2-azidoethoxy)ethoxy]ethoxy}ethyl)-5-(1,2-dithiolan-3-yl)pentanamide

InChI: InChI=1/C16H30N4O4S2/c17-20-19-7-9-23-11-13-24-12-10-22-8-6-18-16(21)4-2-1-3-15-5-14-25-26-15/h15H,1-14H2,(H,18,21)

Composition: C (47.27%), H (7.44%), N (13.78%), O (15.74%), S (15.77%)

Molar Mass: 406.56

Atom Count: 56

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 406.17084781
Formal Charge 0
FSP3 0.94
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 1
InChIKey QRVGYUXHOQKUHM-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 106.81
Topological Polar Surface Area 86.22
Polarizability 41.26
Ring Count 1
Rotatable Bond Count 17

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Purity (%)
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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 890016-39-4 $302.40-$907.20$302.40$453.60$642.60$907.20
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