4-[[2-[6,20-Diethyl-7,7,19,19-tetramethyl-9,17-bis(sulfomethyl)-2-oxa-20-aza-6-azoniapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3,5,8,10,12,15,17,21-nonaen-13-yl]benzoyl]-methylamino]butanoic acid perchlorate
CAS: 1253909-75-9
| 1 | ATTO 594 |
| 2 | EX-A13459 |
No description available for this item
| Molecular Formula | C41H48ClN3O14S2 |
|---|---|
| Canonical SMILES | |
| Isomeric SMILES | |
| Molecular Weight | 906.4000 |
| InChIKey | UMGKWUABTANECF-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H47N3O10S2.ClHO4/c1-8-43-33-19-35-31(17-29(33)25(21-40(43,3)4)23-55(48,49)50)38(27-13-10-11-14-28(27)39(47)42(7)16-12-15-37(45)46)32-18-30-26(24-56(51,52)53)22-41(5,6)44(9-2)34(30)20-36(32)54-35;2-1(3,4)5/h10-11,13-14,17-22H,8-9,12,15-16,23-24H2,1-7H3,(H2-,45,46,48,49,50,51,52,53);(H,2,3,4,5) |
| XLogP | 0.0000 |
| ExactMass | 905.2266 |
| MonoisotopicMass | 905.2266 |
| TPSA | 273.0000 |
| Complexity | 2030.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 3 |
| HBondAcceptorCount | 15 |
| RotatableBondCount | 12 |
| HeavyAtomCount | 61 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 2 |
| PatentCount | 0 |
| PatentFamilyCount | 0 |
| LiteratureCount | 0 |