AF 488 azide
CAS: -
| 1 | AF 488 azide |
No description available for this item
| Molecular Formula | C36H50N8O10S2 |
|---|---|
| Canonical SMILES | |
| Isomeric SMILES | |
| Molecular Weight | 819.0000 |
| InChIKey | KQDNBHWTKODNBU-UHFFFAOYSA-N |
| InChI | InChI=1S/C24H20N6O10S2.2C6H15N/c25-16-6-4-13-18(12-3-2-11(10-15(12)24(32)33)23(31)28-8-1-9-29-30-27)14-5-7-17(26)22(42(37,38)39)20(14)40-19(13)21(16)41(34,35)36;2*1-4-7(5-2)6-3/h2-7,10,25H,1,8-9,26H2,(H,28,31)(H,32,33)(H,34,35,36)(H,37,38,39);2*4-6H2,1-3H3 |
| XLogP | 0.0000 |
| ExactMass | 818.3091 |
| MonoisotopicMass | 818.3091 |
| TPSA | 272.0000 |
| Complexity | 1540.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 6 |
| HBondAcceptorCount | 16 |
| RotatableBondCount | 15 |
| HeavyAtomCount | 56 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 3 |
| PatentCount | 0 |
| PatentFamilyCount | 0 |
| LiteratureCount | 0 |