C294H338Co5N30O58+12 — CID 158630956
bis(2-[2-[4-(carboxymethyl)-2-pyridinyl]-4-pyridinyl]acetic acid);bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);tris(cobalt(2+));bis(cobalt(3+));(Z)-18-[2-[4-[(E)-17-formyloxyheptadec-9-enyl]-2-pyridinyl]-4-pyridinyl]octadec-9-enoic acid;(E)-18-[2-[4-[(E)-17-formyloxyheptadec-9-enyl]-2-pyridinyl]-4-pyridinyl]octadec-9-enoic acid;tetrakis(2-[2-[4-(formyloxymethyl)-2-pyridinyl]-4-pyridinyl]acetic acid);tetrakis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);(E)-18-[2-[4-[(E)-octadec-9-enyl]-2-pyridinyl]-4-pyridinyl]octadec-9-enoic acid (PubChem CID 158630956) has the molecular formula C294H338Co5N30O58+12 and a molecular weight of 5514.75 g/mol. Its IUPAC name is bis(2-[2-[4-(carboxymethyl)-2-pyridinyl]-4-pyridinyl]acetic acid);bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);tris(cobalt(2+));bis(cobalt(3+));(Z)-18-[2-[4-[(E)-17-formyloxyheptadec-9-enyl]-2-pyridinyl]-4-pyridinyl]octadec-9-enoic acid;(E)-18-[2-[4-[(E)-17-formyloxyheptadec-9-enyl]-2-pyridinyl]-4-pyridinyl]octadec-9-enoic acid;tetrakis(2-[2-[4-(formyloxymethyl)-2-pyridinyl]-4-pyridinyl]acetic acid);tetrakis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);(E)-18-[2-[4-[(E)-octadec-9-enyl]-2-pyridinyl]-4-pyridinyl]octadec-9-enoic acid.
| Compound Name | bis(2-[2-[4-(carboxymethyl)-2-pyridinyl]-4-pyridinyl]acetic acid);bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);tris(cobalt(2+));bis(cobalt(3+));(Z)-18-[2-[4-[(E)-17-formyloxyheptadec-9-enyl]-2-pyridinyl]-4-pyridinyl]octadec-9-enoic acid;(E)-18-[2-[4-[(E)-17-formyloxyheptadec-9-enyl]-2-pyridinyl]-4-pyridinyl]octadec-9-enoic acid;tetrakis(2-[2-[4-(formyloxymethyl)-2-pyridinyl]-4-pyridinyl]acetic acid);tetrakis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);(E)-18-[2-[4-[(E)-octadec-9-enyl]-2-pyridinyl]-4-pyridinyl]octadec-9-enoic acid |
|---|---|
| PubChem CID | 158630956 |
| Molecular Formula | C294H338Co5N30O58+12 |
| Molecular Weight | 5514.75 g/mol |
| Exact Mass | 5511.10 |
| IUPAC Name | bis(2-[2-[4-(carboxymethyl)-2-pyridinyl]-4-pyridinyl]acetic acid);bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);tris(cobalt(2+));bis(cobalt(3+));(Z)-18-[2-[4-[(E)-17-formyloxyheptadec-9-enyl]-2-pyridinyl]-4-pyridinyl]octadec-9-enoic acid;(E)-18-[2-[4-[(E)-17-formyloxyheptadec-9-enyl]-2-pyridinyl]-4-pyridinyl]octadec-9-enoic acid;tetrakis(2-[2-[4-(formyloxymethyl)-2-pyridinyl]-4-pyridinyl]acetic acid);tetrakis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);(E)-18-[2-[4-[(E)-octadec-9-enyl]-2-pyridinyl]-4-pyridinyl]octadec-9-enoic acid |
| SMILES | CCCCCCCC/C=C/CCCCCCCCc1ccnc(-c2cc(CCCCCCCC/C=C/CCCCCCCC(=O)O)ccn2)c1.O=C(O)Cc1ccnc(-c2cc(CC(=O)O)ccn2)c1.O=C(O)Cc1ccnc(-c2cc(CC(=O)O)ccn2)c1.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.O=COCCCCCCC/C=C/CCCCCCCCc1ccnc(-c2cc(CCCCCCCC/C=C/CCCCCCCC(=O)O)ccn2)c1.O=COCCCCCCC/C=C/CCCCCCCCc1ccnc(-c2cc(CCCCCCCC/C=C\CCCCCCCC(=O)O)ccn2)c1.O=COCc1ccnc(-c2cc(CC(=O)O)ccn2)c1.O=COCc1ccnc(-c2cc(CC(=O)O)ccn2)c1.O=COCc1ccnc(-c2cc(CC(=O)O)ccn2)c1.O=COCc1ccnc(-c2cc(CC(=O)O)ccn2)c1.O=COc1ccnc(-c2cc(C(=O)O)ccn2)c1.O=COc1ccnc(-c2cc(C(=O)O)ccn2)c1.O=COc1ccnc(-c2cc(C(=O)O)ccn2)c1.O=COc1ccnc(-c2cc(C(=O)O)ccn2)c1.[Co+2].[Co+2].[Co+2].[Co+3].[Co+3] |
| InChI | InChI=1S/2C46H72N2O4.C46H74N2O2.6C14H12N2O4.6C12H8N2O4.5Co/c2*49-41-52-38-30-26-22-18-14-10-6-2-4-8-12-16-20-24-28-32-43-35-37-48-45(40-43)44-39-42(34-36-47-44)31-27-23-19-15-11-7-3-1-5-9-13-17-21-25-29-33-46(50)51;1-2-3-4-5-6-7-8-9-10-12-15-18-21-24-27-30-33-42-36-38-47-44(40-42)45-41-43(37-39-48-45)34-31-28-25-22-19-16-13-11-14-17-20-23-26-29-32-35-46(49)50;4*17-9-20-8-11-2-4-16-13(6-11)12-5-10(1-3-15-12)7-14(18)19;2*17-13(18)7-9-1-3-15-11(5-9)12-6-10(2-4-16-12)8-14(19)20;4*15-7-18-9-2-4-14-11(6-9)10-5-8(12(16)17)1-3-13-10;2*15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;;;;;/h2*1-2,5-6,34-37,39-41H,3-4,7-33,38H2,(H,50,51);9-11,14,36-41H,2-8,12-13,15-35H2,1H3,(H,49,50);4*1-6,9H,7-8H2,(H,18,19);2*1-6H,7-8H2,(H,17,18)(H,19,20);4*1-7H,(H,16,17);2*1-6H,(H,15,16)(H,17,18);;;;;/q;;;;;;;;;;;;;;;3*+2;2*+3/b5-1+,6-2+;5-1-,6-2+;10-9+,14-11+;;;;;;;;;;;;;;;;; |
| InChIKey | HZEMGXXQOPXIIN-WQOVNWBKSA-N |
| XLogP | 57.78 |
| TPSA | 1358.40 Ų |
| H-Bond Donors | 19 |
| H-Bond Acceptors | 69 |
| Rotatable Bonds | 162 |
| Heavy Atoms | 387 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5514.75 |
| LogP ≤ 5 | 57.78 |
| H-Bond Donors ≤ 5 | 19 |
| H-Bond Acceptors ≤ 10 | 69 |