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6-[(4-Methylphenyl)thio]-2-oxo-9-(2′,3′,5′-tri-O-acetyl-β-D-ribofuranosyl)-2,3-dihydropurine , CAS No.135041-24-6
Basic Description
Synonyms | 6-[(4-Methylphenyl)thio]-2-oxo-9-(2',3',5'-tri-O-acetyl-beta-D-ribofuranosyl)-2,3-dihydropurine | 6-[(4-Methylphenyl)thio]-2-oxo-9-(2',3',5'-tri-O-acetyl-?-D-ribofuranosyl)-2,3-dihydropurine | Xanthosine, 6-S-(4-methylphenyl)-6-thio-, 2',3',5'-triacetate |
Storage Temp | Store at -20°C |
Shipped In | Ice chest + Ice pads |
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Names and Identifiers
IUPAC Name | [(2R,3R,4R,5R)-3,4-diacetyloxy-5-[6-(4-methylphenyl)sulfanyl-2-oxo-3H-purin-9-yl]oxolan-2-yl]methyl acetate |
INCHI | InChI=1S/C23H24N4O8S/c1-11-5-7-15(8-6-11)36-21-17-20(25-23(31)26-21)27(10-24-17)22-19(34-14(4)30)18(33-13(3)29)16(35-22)9-32-12(2)28/h5-8,10,16,18-19,22H,9H2,1-4H3,(H,25,26,31)/t16-,18-,19-,22-/m1/s1 |
InChi Key | FGOSQAPWZULDRY-WGQQHEPDSA-N |
Canonical SMILES | CC1=CC=C(C=C1)SC2=NC(=O)NC3=C2N=CN3C4C(C(C(O4)COC(=O)C)OC(=O)C)OC(=O)C |
Isomeric SMILES | CC1=CC=C(C=C1)SC2=NC(=O)NC3=C2N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)COC(=O)C)OC(=O)C)OC(=O)C |
PubChem CID | 15693165 |
Molecular Weight | 516.52 |
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Chemical and Physical Properties
Solubility | Soluble in Chloroform and Ethyl Acetate |
Melt Point(°C) | 94-97°C (lit.) |
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