1-azido-12-(2-{2-[2-(2-azidoethoxy)ethoxy]ethoxy}ethyl)-3,6,9,15,18,21-hexaoxa-12-azatetracosan-24-oic acid

1-azido-12-(2-{2-[2-(2-azidoethoxy)ethoxy]ethoxy}ethyl)-3,6,9,15,18,21-hexaoxa-12-azatetracosan-24-oic acid

CAS: 2182602-17-9

Formula: C25H49N7O11

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

IUPAC: 1-azido-12-(2-{2-[2-(2-azidoethoxy)ethoxy]ethoxy}ethyl)-3,6,9,15,18,21-hexaoxa-12-azatetracosan-24-oic acid

InChI: InChI=1S/C25H49N7O11/c26-30-28-2-8-36-14-20-42-23-17-39-11-5-32(4-10-38-16-22-41-19-13-35-7-1-25(33)34)6-12-40-18-24-43-21-15-37-9-3-29-31-27/h1-24H2,(H,33,34)

Composition: C (48.14%), H (7.92%), N (15.72%), O (28.22%)

Molar Mass: 623.705

Atom Count: 92

Heavy Atom Count: 43

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	623.349005426
Formal Charge	0
FSP3	0.96
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	16
Hydrogen Bond Donor Count	1
InChIKey	WDEYOYQVZPSNFR-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	155.33
Topological Polar Surface Area	182.47
Polarizability	59.91
Ring Count	0
Rotatable Bond Count	36

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