4,7,10,13,19,22,25,28-octaoxa-16-azahentriacontanedioic acid

4,7,10,13,19,22,25,28-octaoxa-16-azahentriacontanedioic acid

CAS: 2055041-59-1

Formula: C22H43NO12

SMILES: OC(=O)CCOCCOCCOCCOCCNCCOCCOCCOCCOCCC(O)=O

IUPAC: 4,7,10,13,19,22,25,28-octaoxa-16-azahentriacontanedioic acid

InChI: InChI=1S/C22H43NO12/c24-21(25)1-5-28-9-13-32-17-19-34-15-11-30-7-3-23-4-8-31-12-16-35-20-18-33-14-10-29-6-2-22(26)27/h23H,1-20H2,(H,24,25)(H,26,27)

Composition: C (51.45%), H (8.44%), N (2.73%), O (37.38%)

Molar Mass: 513.581

Atom Count: 78

Heavy Atom Count: 35

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	513.278525829
Formal Charge	0
FSP3	0.91
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	13
Hydrogen Bond Donor Count	3
InChIKey	QTCFBOYSLWNBKU-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	124.61
Topological Polar Surface Area	160.47
Polarizability	49.62
Ring Count	0
Rotatable Bond Count	30

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