≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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 | C[C@]1([C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(NC3=O)N)COP(=O)(NCC4=CC=CC=C4)OCCSC(=O)C(C)(C)CO)O)O |
|---|---|
| IUPAC Name | S-[2-[[(2R,3R,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-(benzylamino)phosphoryl]oxyethyl] 3-hydroxy-2,2-dimethylpropanethioate |
| InChIKey | FGHMGRXAHIXTBM-TWFJNEQDSA-N |
| INCHI | 1S/C25H35N6O9PS/c1-24(2,13-32)22(35)42-10-9-38-41(37,28-11-15-7-5-4-6-8-15)39-12-16-18(33)25(3,36)21(40-16)31-14-27-17-19(31)29-23(26)30-20(17)34/h4-8,14,16,18,21,32-33,36H,9-13H2,1-3H3,(H,28,37)(H3,26,29,30,34)/t16-,18-,21-,25-,41?/m1/s1 |
| Molecular Weight | 626.600 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Nucleosides, nucleotides, and analogues |
| Class | Purine nucleotides |
| Subclass | Purine ribonucleotides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Purine ribonucleoside monophosphates |
| Alternative Parents | Glycosylamines Hypoxanthines 6-oxopurines Phosphoric diester monoamides Aminopyrimidines and derivatives Pyrimidones Organic phosphoramides N-substituted imidazoles Monosaccharides Benzene and substituted derivatives Tertiary alcohols Oxolanes Heteroaromatic compounds Vinylogous amides 1,2-diols Amino acids and derivatives Thioesters Carbothioic S-esters Secondary alcohols Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Primary alcohols Primary amines |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Purine ribonucleoside monophosphate - Glycosyl compound - N-glycosyl compound - 6-oxopurine - Hypoxanthine - Purinone - Imidazopyrimidine - Purine - Phosphoric diester monoamide - Aminopyrimidine - Pyrimidone - Monocyclic benzene moiety - Monosaccharide - N-substituted imidazole - Organic phosphoric acid derivative - Phosphoric acid ester - Pyrimidine - Benzenoid - Organic phosphoric acid amide - Azole - Vinylogous amide - Tertiary alcohol - Heteroaromatic compound - Imidazole - Oxolane - Thiocarboxylic acid ester - Secondary alcohol - Carbothioic s-ester - 1,2-diol - Amino acid or derivatives - Thiocarboxylic acid or derivatives - Organoheterocyclic compound - Sulfenyl compound - Oxacycle - Carboxylic acid derivative - Azacycle - Amine - Hydrocarbon derivative - Organic oxide - Primary amine - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Alcohol - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary alcohol - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached. |
| External Descriptors | Not available |
| Molecular Weight | 626.600 g/mol |
|---|---|
| XLogP3 | -1.300 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 14 |
| Exact Mass | 626.192 Da |
| Monoisotopic Mass | 626.192 Da |
| Topological Polar Surface Area | 245.000 Ų |
| Heavy Atom Count | 42 |
| Formal Charge | 0 |
| Complexity | 1060.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
