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

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

CAS: 2055042-59-4

Formula: C26H52N2O13

SMILES: NCCOCCOCCOCCN(CCOCCOCCOCCC(O)=O)CCOCCOCCOCCC(O)=O

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

InChI: InChI=1S/C26H52N2O13/c27-3-9-35-15-21-41-24-18-38-12-6-28(4-10-36-16-22-39-19-13-33-7-1-25(29)30)5-11-37-17-23-40-20-14-34-8-2-26(31)32/h1-24,27H2,(H,29,30)(H,31,32)

Composition: C (51.99%), H (8.73%), N (4.66%), O (34.62%)

Molar Mass: 600.703

Atom Count: 93

Heavy Atom Count: 41

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	600.346939742
Formal Charge	0
FSP3	0.92
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	15
Hydrogen Bond Donor Count	3
InChIKey	UHOXWPGAUQMIHP-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	148.9
Topological Polar Surface Area	186.93
Polarizability	59.19
Ring Count	0
Rotatable Bond Count	35

Suppliers

Axispharm

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	2055042-59-4		$302.40-$926.10$302.40$614.25$926.10