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Moligand™,≥96% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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.
| Sorrisi canonici | CC1C2N(C(C(=O)N1CC3=CC=CC4=C3N=CC=C4)CC5=CC=C(C=C5)OP(=O)(O)O)C(=O)CN(N2C(=O)NCC6=CC=CC=C6)C |
|---|---|
| IUPAC Name | [4-[[(6S,9S,9aS)-1-(benzylcarbamoyl)-2,9-dimethyl-4,7-dioxo-8-(quinolin-8-ylmethyl)-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazin-6-yl]methyl]phenyl] dihydrogen phosphate |
| InChIKey | VHOZWHQPEJGPCC-AZXNYEMZSA-N |
| INCHI | 1S/C33H35N6O7P/c1-22-31-38(29(40)21-36(2)39(31)33(42)35-19-24-8-4-3-5-9-24)28(18-23-13-15-27(16-14-23)46-47(43,44)45)32(41)37(22)20-26-11-6-10-25-12-7-17-34-30(25)26/h3-17,22,28,31H,18-21H2,1-2H3,(H,35,42)(H2,43,44,45)/t22-,28-,31-/m0/s1 |
| Isomeri SMILES | C[C@H]1[C@H]2N([C@H](C(=O)N1CC3=CC=CC4=C3N=CC=C4)CC5=CC=C(C=C5)OP(=O)(O)O)C(=O)CN(N2C(=O)NCC6=CC=CC=C6)C |
| PubChem CID | 71509318 |
| Peso molecolare | 658.64 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Classe | Organic phosphoric acids and derivatives |
| Subclass | Phosphate esters |
| Intermediate Tree Nodes | Aryl phosphates - Aryl phosphomonoesters |
| Direct Parent | Phenyl phosphates |
| Alternative Parents | Quinolines and derivatives Alpha amino acids and derivatives Phenoxy compounds N-alkylpiperazines Pyridines and derivatives 1,2,4-triazines 1,2,4-triazinanes Tertiary carboxylic acid amides Semicarbazides Heteroaromatic compounds Lactams Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenyl phosphate - Alpha-amino acid or derivatives - Quinoline - Phenoxy compound - N-alkylpiperazine - 1,2,4-triazinane - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Pyridine - 1,2,4-triazine - Benzenoid - Triazine - Triazinane - Heteroaromatic compound - Semicarbazide - Tertiary carboxylic acid amide - Lactam - Carboxamide group - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Descrizione | This compound belongs to the class of organic compounds known as phenyl phosphates. These are aromatic organooxygen compounds containing a phosphate group, which is O-esterified with a phenyl group. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Data | Oggetto |
|---|---|---|---|
| Certificate of Analysis | Mar 05, 2026 | P414303 | |
| Certificate of Analysis | Mar 05, 2026 | P414303 | |
| Certificate of Analysis | Mar 05, 2026 | P414303 | |
| Certificate of Analysis | Mar 05, 2026 | P414303 |
| Solubilità | Solubility (25°C) In vitro DMSO: 100 mg/mL (151.82 mM); Ethanol: 2 mg/mL (3.03 mM); Water: Insoluble; |
|---|---|
| Sensibilità | Light sensitive |
| Peso molecolare | 658.600 g/mol |
| XLogP3 | 0.300 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 8 |
| Exact Mass | 658.23 Da |
| Monoisotopic Mass | 658.23 Da |
| Topological Polar Surface Area | 156.000 Ų |
| Heavy Atom Count | 47 |
| Formal Charge | 0 |
| Complexity | 1170.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| 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 |
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