Molecular Structure:
CCD No.:CCD02755982
GLUCOBRASSICIN (POTASSIUM SALT)
CAS No.:
4356-52-9
Formula:C16 H19 N2 O9 S2 . K
MolWeight:486.561
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| Product Name： | GLUCOBRASSICIN (POTASSIUM SALT) |
| CAS： | 4356-52-9 |
| English Synonyms： | GLUCOBRASSICIN (POTASSIUM SALT) |
| MDL Number.： | MFCD16294848 |
| H bond acceptor： | 11 |
| H bond donor： | 5 |
| Smile： | c1ccc2c(c1)c(c[nH]2)C/C(=N\OS(=O)(=O)[O-])/S[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O.[K+] |
| InChi： | InChI=1S/C16H20N2O9S2.K/c19-7-11-13(20)14(21)15(22)16(26-11)28-12(18-27-29(23,24)25)5-8-6-17-10-4-2-1-3-9(8)10;/h1-4,6,11,13-17,19-22H,5,7H2,(H,23,24,25);/q;+1/p-1/b18-12+;/t11-,13-,14+,15-,16+;/m1./s1 |
| InChiKey： | InChIKey=NSURXWDIGUNLJB-YBOYLLCLSA-M |
Basic Information
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