Pinnaic acid; 2-Sulfoethylamide
AlkaPlorer ID: AK310460
Synonym: Tauropinnaic acid
IUPAC Name: None
Structure
SMILES: C/C(=C\CC1CCCC2(CCCC2C(C)/C=C/C(O)/C=C(\Cl)CCNCCS(=O)(=O)O)N1)C(=O)O
InChI: InChI=1S/C25H41ClN2O6S/c1-18(8-10-22(29)17-20(26)11-14-27-15-16-35(32,33)34)23-6-4-13-25(23)12-3-5-21(28-25)9-7-19(2)24(30)31/h7-8,10,17-18,21-23,27-29H,3-6,9,11-16H2,1-2H3,(H,30,31)(H,32,33,34)/b10-8+,19-7+,20-17-
InChIKey: RZVSLMMMNNRHCE-LDVITNQPSA-N
Reference
CAS: 178115-92-9
Source
Properties Information
Molecule Weight: 533.1310000000003
TPSA？: 135.96
MolLogP？: 3.6318
Number of H-Donors: 5
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|