AF 555 azide
CAS: -
| 1 | AF 555 azide |
| 2 | HY-D2177 |
| 3 | CS-0905148 |
No description available for this item
| Molecular Formula | C38H49K3N6O13S4 |
|---|---|
| Canonical SMILES | |
| Isomeric SMILES | |
| Molecular Weight | 1043.4000 |
| InChIKey | DAWUVPYNNYLDCF-UHFFFAOYSA-K |
| InChI | InChI=1S/C38H52N6O13S4.3K/c1-37(2)30-26-28(60(52,53)54)15-17-32(30)43(22-7-4-5-14-36(45)40-20-10-21-41-42-39)34(37)12-9-13-35-38(3,19-6-8-24-58(46,47)48)31-27-29(61(55,56)57)16-18-33(31)44(35)23-11-25-59(49,50)51;;;/h9,12-13,15-18,26-27H,4-8,10-11,14,19-25H2,1-3H3,(H4-,40,45,46,47,48,49,50,51,52,53,54,55,56,57);;;/q;3*+1/p-3 |
| XLogP | 0.0000 |
| ExactMass | 1042.1152 |
| MonoisotopicMass | 1042.1152 |
| TPSA | 312.0000 |
| Complexity | 2150.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 1 |
| HBondAcceptorCount | 16 |
| RotatableBondCount | 22 |
| HeavyAtomCount | 64 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 1 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 1 |
| BondStereoCount | 2 |
| DefinedBondStereoCount | 2 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 4 |
| PatentCount | 0 |
| PatentFamilyCount | 0 |
| LiteratureCount | 0 |