![(2R,3S,5S)-3-(Benzyloxy)-5-[2-[[(4-methoxyphenyl)diphenylmethyl]amino]-6-(benzyloxy)-9H-purin-9-yl]-2-(benzyloxymethyl)cyclopentanone structure, CAS 142217-79-6](/structures/210000/186417_1_142217_79_6.png)
CAS Number142217-79-6
SynonymsExact Mass 821.357727; PSA 109.62000; LogP 9.67; Index of Refraction 1.646; InChIKey JBDUMGNQMZHOMS-QZVMJXQOSA-N; Synthetic Route; 5-[2-[[(4-Metho...; CAS#:142217-78-5; ~%; (2R,3S,5S)-5-[2...; CAS#:142217-79-6; Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 7, # 2 p. 127 - 132; Benzyl chlorome...; CAS#:3587-60-8; (benzyloxymethy...; CAS#:39939-07-6; Precursor & DownStream; Precursor 8; CAS#:110567-22-1; (1S,2R,3S,5R)-3...; DownStream 3; CAS#:142217-81-0; 2-amino-9-((1S,...; CAS#:142217-69-4; Entecavir; CAS#:142217-80-9; 6-(Benzyloxy)-9...; Synonyms
Molecular FormulaC52H49O5N5
Molecular Weight823.99
Density1.2±0.1 g/cm3
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 142217-79-6 |
| Catalog No. | 2A-1185129 |
| Chinese Name | (2R,3S,5S)-3-苄氧基-5-[2-[[(4-甲氧基苯基)二苯基甲基]氨基]-6-苄氧基-9H-嘌呤-9-基]-2-苄氧基甲基环戊酮 |
| Synonyms | Exact Mass 821.357727; PSA 109.62000; LogP 9.67; Index of Refraction 1.646; InChIKey JBDUMGNQMZHOMS-QZVMJXQOSA-N; Synthetic Route; 5-[2-[[(4-Metho...; CAS#:142217-78-5; ~%; (2R,3S,5S)-5-[2...; CAS#:142217-79-6; Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 7, # 2 p. 127 - 132; Benzyl chlorome...; CAS#:3587-60-8; (benzyloxymethy...; CAS#:39939-07-6; Precursor & DownStream; Precursor 8; CAS#:110567-22-1; (1S,2R,3S,5R)-3...; DownStream 3; CAS#:142217-81-0; 2-amino-9-((1S,...; CAS#:142217-69-4; Entecavir; CAS#:142217-80-9; 6-(Benzyloxy)-9...; Synonyms |
| Molecular Formula | C52H49O5N5 |
| Molecular Weight | 823.99 |
| Density | 1.2±0.1 g/cm3 |
| PubChem ID | 103021745 |
| MDL Number | MFCD11978033 |
| SMILES | COc1ccc(C(Nc2nc(OCc3ccccc3)c3ncn(C4CC(OCc5ccccc5)C(COCc5ccccc5)C4=O)c3n2)(c2ccccc2)c2ccccc2)cc1 |
| InChI | InChI=1S/C52H47N5O5/c1-59-43-29-27-42(28-30-43)52(40-23-13-5-14-24-40,41-25-15-6-16-26-41)56-51-54-49-47(50(55-51)62-34-39-21-11-4-12-22-39)53-36-57(49)45-31-46(61-33-38-19-9-3-10-20-38)44(48(45)58)35-60-32-37-17-7-2-8-18-37/h2-30,36,44-46H,31-35H2,1H3,(H,54,55,56)/t44-,45+,46+/m1/s1 |
| InChI Key | JBDUMGNQMZHOMS-QZVMJXQOSA-N |
| Transport Info | Product name: (2R,3S,5S)-3-benzyloxy-5-[2-[[(4-methoxyphenyl)diphenylmethyl]amino]-6-benzyloxy-9H-purin-9-yl]-2-benzyloxymethylcyclopentanone |
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