| Canonical Smiles | CN(C(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O)C(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46 |
|---|---|
| IUPAC Name | (2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-tritylsulfanylpropanoic acid |
| InChIKey | RAKOPMQMPUNRGI-DHUJRADRSA-N |
| INCHI | 1S/C38H33NO4S/c1-39(37(42)43-25-34-32-23-13-11-21-30(32)31-22-12-14-24-33(31)34)35(36(40)41)26-44-38(27-15-5-2-6-16-27,28-17-7-3-8-18-28)29-19-9-4-10-20-29/h2-24,34-35H,25-26H2,1H3,(H,40,41)/t35-/m0/s1 |
| Isomeric SMILES | CN([C@@H](CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O)C(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46 |
| PubChem CID | 69032228 |
| Molecular Weight | 599.74 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Triphenyl compounds |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Triphenyl compounds |
| Alternative Parents | Fluorenes Cysteine and derivatives Benzene and substituted derivatives Carbamate esters Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Triphenyl compound - Fluorene - Cysteine or derivatives - Alpha-amino acid or derivatives - Monocyclic benzene moiety - Carbamic acid ester - Carboxylic acid derivative - Carboxylic acid - Dialkylthioether - Sulfenyl compound - Thioether - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as triphenyl compounds. These are aromatic compounds containing a triphenyl moiety. |
| External Descriptors | Not available |
| Sensitivity | heat sensitive |
|---|---|
| Melt Point(°C) | 234-239 ° |
| Molecular Weight | 599.700 g/mol |
| XLogP3 | 8.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 11 |
| Exact Mass | 599.213 Da |
| Monoisotopic Mass | 599.213 Da |
| Topological Polar Surface Area | 92.100 Ų |
| Heavy Atom Count | 44 |
| Formal Charge | 0 |
| Complexity | 872.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
