| SpectraBase Spectrum ID |
LgEQjRoloGK |
| Name |
Entecavir 5TMS |
| Classification |
Antiviral derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
637.315123323 u |
| Formula |
C27H55N5O3Si5 |
| InChI |
InChI=1S/C27H55N5O3Si5/c1-20-21(18-33-38(8,9)10)23(34-39(11,12)13)17-22(20)31-19-28-24-25(31)29-27(30-26(24)35-40(14,15)16)32(36(2,3)4)37(5,6)7/h19,21-23H,1,17-18H2,2-16H3/t21-,22-,23-/m0/s1 |
| InChIKey |
JLRUGPDZNXRLLA-VABKMULXSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
638.194 g/mol |
| Nominal Mass |
637 u |
| Quality |
938 |
| Retention Index |
4753 |
| SMILES |
C1(N([Si](C)(C)C)[Si](C)(C)C)=NC=2N([C@@]3(C([C@@]([C@](C3)(O[Si](C)(C)C)[H])(CO[Si](C)(C)C)[H])=C)[H])C=NC2C(=N1)O[Si](C)(C)C |
| SPLASH |
splash10-00di-5734109000-4ef1b74434ac21fe777d |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
9-((1S,3R,4S)-2-methylidene-4-((trimethylsilyl)oxy)-3-(((trimethylsilyl)oxy)methyl)cyclopentyl)-N,N-bis(trimethylsilyl)-6-((trimethylsilyl)oxy)-9H-purin-2-amine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_035014 |
