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Structure
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| Relationships |
Total Number of functionally related protein(s) :
30
Total Number of Articles : 8
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| PubChem |
153557
|
| Molecular Formula |
C14H17NO5S |
| SMILES |
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC=C(C=C2)CN=C=S)O)O)O |
| InChI |
InChI=1S/C14H17NO5S/c1-8-11(16)12(17)13(18)14(19-8)20-10-4-2-9(3-5-10)6-15-7-21/h2-5,8,11-14,16-18H,6H2,1H3/t8-,11-,12+,13+,14-/m0/s1 |
| synonyms |
- Moringin
- 73255-40-0
- alpha-L-Mannopyranoside, 4-(isothiocyanatomethyl)phenyl 6-deoxy-
- (2S,3R,4R,5R,6S)-2-[4-(isothiocyanatomethyl)phenoxy]-6-methyloxane-3,4,5-triol
- (2S,3R,4R,5R,6S)-2-(4-(Isothiocyanatomethyl)phenoxy)-6-methyltetrahydro-2H-pyran-3,4,5-triol
- 4-((alpha-L-rhamnosyloxy)benzyl)isothiocyanate
- SCHEMBL4995512
- CHEMBL1223970
- DTXSID70993990
- HY-N8264
- AKOS040762069
- CS-0142137
- G66864
- 4-(alpha-l-rhamnopyranosyloxy) benzyl isothiocyanate
- 4-(Isothiocyanatomethyl)phenyl 6-deoxyhexopyranoside
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| Properties |
| Property |
Value |
| MW |
311.36 g/mol |
| HBD |
3 |
| HBA |
7 |
| Rotatable Bond Count |
4 |
| Exact Mass |
311.08274382 g/mol |
| Monoisotopic Mass |
311.08274382 g/mol |
| Heavy Atom Count |
21 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
5 |
| Covalent Unit Count |
1 |
| Complexity |
382 |
| xlogp |
1.9 |
| Topological Polar Surface Area |
124 |
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