![2-[[2-[[[9-[2-[(2S)-2-amino-3-methylbutanoyl]oxyethoxymethyl]-6-oxo-3H-purin-2-yl]amino]methylamino]-6-oxo-3H-purin-9-yl]methoxy]ethyl (2S)-2-amino-3-methylbutanoate structure, CAS 1356019-51-6](/structures/180000/167904_2_1356019_51_6.png)
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 1356019-51-6 |
| Catalog No. | 2A-1167865 |
| Chinese Name | 伐昔洛韦杂质(〜90%) |
| Synonyms | Exact Mass 660.30900; PSA 281.28000; LogP 0.10430; InChIKey WLNNOXICHLWLAK-IRXDYDNUSA-N; Synonyms |
| Molecular Formula | C27H40N12O8 |
| Molecular Weight | 660.68200 |
| PubChem ID | 162256576 |
| SMILES | CC(C)C(N)C(=O)OCCOCn1cnc2c(=O)[nH]c(NCNc3nc4c(ncn4COCCOC(=O)C(N)C(C)C)c(=O)[nH]3)nc21 |
| InChI | InChI=1S/C27H40N12O8/c1-14(2)16(28)24(42)46-7-5-44-12-38-10-32-18-20(38)34-26(36-22(18)40)30-9-31-27-35-21-19(23(41)37-27)33-11-39(21)13-45-6-8-47-25(43)17(29)15(3)4/h10-11,14-17H,5-9,12-13,28-29H2,1-4H3,(H2,30,34,36,40)(H2,31,35,37,41)/t16-,17-/m0/s1 |
| InChI Key | WLNNOXICHLWLAK-IRXDYDNUSA-N |
| Transport Info | Product name: Valacyclovir impurities (~90%) |
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