Agn-PC-0LP4TF
ethyl 2-[[28-[(2-ethoxy-2-oxoethyl)amino]-9,28-dioxo-8,10,27,29,39,40-hexaoxa-18,19,37,38-tetraza-9λ5,28λ5-diphosphaheptacyclo[34.2.1.117,20.02,7.011,16.021,26.030,35]tetraconta-1(38),2,4,6,11,13,15,17,19,21,23,25,30,32,34,36-hexadecaen-9-yl]amino]acetate
Also Known As: AGN-PC-0LP4TF|Diethyl 2,2'-{[5,11-dioxo-4,6,10,12-tetraoxa-5lambda~5~,11lambda~5~-diphospha-2,8(2,5)-di([1,3,4]oxadiazola)-1,3,7,9(1,2)-tetrabenzenacyclododecaphane-5,11-diyl]bis(azanediyl)}diacetate
| Molecular Formula | C36H32N6O12P2 |
|---|---|
| Molecular Weight | 802.15533 g/mol |
| LogP | 6.8712 |
| Topological Polar Surface Area | 225.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 8 |
| Exact Mass | 802.15533 |
| Monoisotopic Mass | 802.15533 |
| Heavy Atoms | 56 |
| Complexity | 2166.7188 |
Chemical Identifiers
| CAS Number | 7232-63-5 |
|---|---|
| SMILES | CCOC(=O)CNP1(=O)OC2=CC=CC=C2C3=NN=C(O3)C4=CC=CC=C4OP(=O)(OC5=CC=CC=C5C6=NN=C(O6)C7=CC=CC=C7O1)NCC(=O)OCC |
Product Overview
Agn-PC-0LP4TF (CAS 7232-63-5), with molecular formula C36H32N6O12P2 and molecular weight 802.15533 g/mol. IUPAC: ethyl 2-[[28-[(2-ethoxy-2-oxoethyl)amino]-9,28-dioxo-8,10,27,29,39,40-hexaoxa-18,19,37,38-tetraza-9λ5,28λ5-diphosphaheptacyclo[34.2.1.117,20.02,7.011,16.021,26.030,35]tetraconta-1(38),2,4,6,11,13,15,17,19,21,23,25,30,32,34,36-hexadecaen-9-yl]amino]acetate.