≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)NC3=C4C(=NC=N3)N(C=N4)CC(=O)N(CCNC(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57)CC(=O)O |
|---|---|
| IUPAC Name | 2-[[2-[6-(benzhydryloxycarbonylamino)purin-9-yl]acetyl]-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]amino]acetic acid |
| InChIKey | LVVQRXRVCLWIIO-UHFFFAOYSA-N |
| INCHI | 1S/C40H35N7O7/c48-33(46(22-34(49)50)20-19-41-39(51)53-23-32-30-17-9-7-15-28(30)29-16-8-10-18-31(29)32)21-47-25-44-35-37(42-24-43-38(35)47)45-40(52)54-36(26-11-3-1-4-12-26)27-13-5-2-6-14-27/h1-18,24-25,32,36H,19-23H2,(H,41,51)(H,49,50)(H,42,43,45,52) |
| Isomeric SMILES | C1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)NC3=C4C(=NC=N3)N(C=N4)CC(=O)N(CCNC(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57)CC(=O)O |
| Molecular Weight | 725.76 |
| Reaxy-Rn | 9032673 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9032673&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Fluorenes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Fluorenes |
| Alternative Parents | N-acyl-alpha amino acids Diphenylmethanes Benzyloxycarbonyls Purines and purine derivatives Pyrimidines and pyrimidine derivatives N-substituted imidazoles Imidolactams Tertiary carboxylic acid amides Carbamate esters Heteroaromatic compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Carbonyl compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Diphenylmethane - Fluorene - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Imidazopyrimidine - Purine - Monocyclic benzene moiety - Imidolactam - N-substituted imidazole - Pyrimidine - Azole - Heteroaromatic compound - Imidazole - Carbamic acid ester - Tertiary carboxylic acid amide - Carboxamide group - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as fluorenes. These are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene. |
| External Descriptors | Not available |
| Sensitivity | Air&Heat sensitive |
|---|---|
| Molecular Weight | 725.700 g/mol |
| XLogP3 | 5.200 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 15 |
| Exact Mass | 725.26 Da |
| Monoisotopic Mass | 725.26 Da |
| Topological Polar Surface Area | 178.000 Ų |
| Heavy Atom Count | 54 |
| Formal Charge | 0 |
| Complexity | 1240.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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 |
