Name: | TNPAL-GLUCOCEREBROSIDE |
CAS: | 117961-26-9 |
Synonyms: | TRINITROPHENYLAMINOLAUROYLGLUCOCEREBROSIDE ; TNPAL-GLUCOCEREBROSIDE |
MDL.: | MFCD01090955 |
H bond acceptor: | 19 |
H bond donor: | 7 |
Smile: | CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCCCCNc2cc(c(c(c2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])O |
InChi: | InChI=1S/C42H71N5O14/c1-2-3-4-5-6-7-8-9-10-12-15-18-21-24-35(49)32(30-60-42-41(53)40(52)39(51)36(29-48)61-42)44-37(50)25-22-19-16-13-11-14-17-20-23-26-43-31-27-33(45(54)55)38(47(58)59)34(28-31)46(56)57/h21,24,27-28,32,35-36,39-43,48-49,51-53H,2-20,22-23,25-26,29-30H2,1H3,(H,44,50)/b24-21+/t32-,35+,36+,39+,40-,41+,42+/m0/s1 |
InChiKey: | InChIKey=RLTHZYLHHOPECX-QTEFMMDCSA-N |
TNPAL-GLUCOCEREBROSIDE
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