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Structure
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| Relationships |
Total Number of functionally related protein(s) :
6
Total Number of Articles : 14
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| PubChem |
447607
|
| Molecular Formula |
C6H13NO3 |
| SMILES |
C1[C@@H]([C@H]([C@@H](CN1)O)O)CO |
| InChI |
InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6-/m1/s1 |
| synonyms |
- Afegostat
- Isofagomine
- (3R,4R,5R)-5-(HYDROXYMETHYL)PIPERIDINE-3,4-DIOL
- 169105-89-9
- iso-Fagomine
- D-Isofagomine
- Isofagomine, hydrochloride
- 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE
- CHEMBL206468
- G23AP190YS
- IFM
- 3,4-piperidinediol, 5-(hydroxymethyl)-, (3R,4R,5R)-
- 5-Hydroxymethyl-3,4-piperidinediol
- Afegostat [INN]
- Afegostat [USAN:INN]
- UNII-G23AP190YS
- 1oif
- Afegostat (USAN/INN)
- AFEGOSTAT [USAN]
- ISOFAGOMINE [MI]
- AFEGOSTAT [WHO-DD]
- SCHEMBL581577
- GTPL7410
- DTXSID20168651
- CHEBI:194390
- QPYJXFZUIJOGNX-HSUXUTPPSA-N
- BDBM50182801
- AKOS006348872
- DB04545
- HY-14829
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| Properties |
| Property |
Value |
| MW |
147.17 g/mol |
| HBD |
4 |
| HBA |
4 |
| Rotatable Bond Count |
1 |
| Exact Mass |
147.08954328 g/mol |
| Monoisotopic Mass |
147.08954328 g/mol |
| Heavy Atom Count |
10 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
3 |
| Covalent Unit Count |
1 |
| Complexity |
109 |
| xlogp |
-1.5 |
| Topological Polar Surface Area |
72.7 |
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