Text Search
Structure Search

13-(2-{2-[2-(2-azidoethoxy)ethoxy]ethoxy}ethyl)-4,7,10,16,19,22-hexaoxa-13-azapentacosanedioic acid

13-(2-{2-[2-(2-azidoethoxy)ethoxy]ethoxy}ethyl)-4,7,10,16,19,22-hexaoxa-13-azapentacosanedioic acid

CAS: 2055042-57-2

Formula: C26H50N4O13

SMILES: OC(=O)CCOCCOCCOCCN(CCOCCOCCOCCN=[N+]=[N-])CCOCCOCCOCCC(O)=O

IUPAC: 13-(2-{2-[2-(2-azidoethoxy)ethoxy]ethoxy}ethyl)-4,7,10,16,19,22-hexaoxa-13-azapentacosanedioic acid

InChI: InChI=1S/C26H50N4O13/c27-29-28-3-9-37-15-21-43-24-18-40-12-6-30(4-10-38-16-22-41-19-13-35-7-1-25(31)32)5-11-39-17-23-42-20-14-36-8-2-26(33)34/h1-24H2,(H,31,32)(H,33,34)

Composition: C (49.83%), H (8.04%), N (8.94%), O (33.19%)

Molar Mass: 626.701

Atom Count: 93

Heavy Atom Count: 43

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 626.337437686
Formal Charge 0
FSP3 0.92
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 16
Hydrogen Bond Donor Count 2
InChIKey ZFRXULKENCQWKC-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 153.53
Topological Polar Surface Area 190.34
Polarizability 60.02
Ring Count 0
Rotatable Bond Count 36

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 2055042-57-2 $302.40-$926.10$302.40$614.25$926.10
Request Quote