AF 647 azide
CAS: -
| 1 | AF 647 azide |
No description available for this item
| Molecular Formula | C38H49N6O13S4- |
|---|---|
| Canonical SMILES | |
| Isomeric SMILES | |
| Molecular Weight | 926.1000 |
| InChIKey | PUNHKLMJWGHXIN-UHFFFAOYSA-M |
| InChI | InChI=1S/C38H50N6O13S4/c1-37(2)30-26-28(60(52,53)54)15-17-32(30)43(22-10-24-58(46,47)48)34(37)12-5-4-6-13-35-38(3,19-8-7-14-36(45)40-20-9-21-41-42-39)31-27-29(61(55,56)57)16-18-33(31)44(35)23-11-25-59(49,50)51/h4-6,12-13,15-18,26-27H,7-11,14,19-25H2,1-3H3,(H4-,40,45,46,47,48,49,50,51,52,53,54,55,56,57)/p-1 |
| XLogP | 3.3000 |
| ExactMass | 925.2240 |
| MonoisotopicMass | 925.2240 |
| TPSA | 306.0000 |
| Complexity | 2170.0000 |
| Charge | -1.0000 |
| HBondDonorCount | 3 |
| HBondAcceptorCount | 16 |
| RotatableBondCount | 20 |
| HeavyAtomCount | 61 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 1 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 1 |
| BondStereoCount | 3 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 3 |
| CovalentUnitCount | 1 |
| PatentCount | 0 |
| PatentFamilyCount | 0 |
| LiteratureCount | 0 |