calcium acetylhomotaurinate
- CAS:
- Other names: CAHT
- SMILES: CC(=O)NCCCS(=O)(=O)[O-].CC(=O)NCCCS(=O)(=O)[O-].[Ca+2]
Properties
| MW |
HBA |
HBD |
LogP |
TPSA |
Rot. |
Comp. |
Fsp3C |
Brutto formula |
| 400.48 |
8 |
2 |
1.06 |
189.35999999999999 |
6 |
39 |
0.80 |
C10H20CaN2O8S2 |
Availability
| Suppliers |
Supplier IDs |
Storage |
Storage ID |
Quantity |
Class |
Added |
|
|
|
JN_111 |
None |
|
Jan. 1, 2023 |
Bar codes
| Plate barcode |
Sample barcode |
|
|
PAINS
| Identified PAINS |
| Not checked |
Supramolecules
| Name | log K | SD | pH | T(°C) | Method | Ref |
| [a-Cyclodextrin](1).[calcium acetylhomotaurinate] |
0.66 |
-0.40 |
|
40.0 |
NMR spectroscopy |
Irina N. Topchieva 1998 |
| [a-Cyclodextrin](1).[calcium acetylhomotaurinate] |
0.48 |
-0.70 |
|
50.0 |
NMR spectroscopy |
Irina N. Topchieva 1998 |
| [a-Cyclodextrin](1).[calcium acetylhomotaurinate] |
0.32 |
-0.70 |
|
60.0 |
NMR spectroscopy |
Irina N. Topchieva 1998 |
| [b-Cyclodextrin](1).[calcium acetylhomotaurinate] |
3.26 |
2.30 |
|
30.0 |
NMR spectroscopy |
Irina N. Topchieva 1998 |
| [b-Cyclodextrin](1).[calcium acetylhomotaurinate] |
3.03 |
1.30 |
|
50.0 |
NMR spectroscopy |
Irina N. Topchieva 1998 |
| [b-Cyclodextrin](1).[calcium acetylhomotaurinate] |
2.93 |
1.60 |
|
70.0 |
NMR spectroscopy |
Irina N. Topchieva 1998 |
| [poly(ethylene oxide)-modified ACD](1).[calcium acetylhomotaurinate] |
0.32 |
-1.00 |
|
40.0 |
NMR spectroscopy |
Irina N. Topchieva 1998 |
| [poly(ethylene oxide)-modified ACD](1).[calcium acetylhomotaurinate] |
2.51 |
1.30 |
|
30.0 |
NMR spectroscopy |
Irina N. Topchieva 1998 |
| [poly(ethylene oxide)-modified ACD](1).[calcium acetylhomotaurinate] |
2.23 |
1.00 |
|
50.0 |
NMR spectroscopy |
Irina N. Topchieva 1998 |
| [poly(ethylene oxide)-modified ACD](1).[calcium acetylhomotaurinate] |
1.80 |
0.30 |
|
70.0 |
NMR spectroscopy |
Irina N. Topchieva 1998 |