General Information of the Compound
| Compound ID |
CP0478942
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R,3R,4S)-4-hydroxy-3-(2-methylpropanoylamino)-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C13H21NO8
|
||||||||||||||||||
| Molecular Weight |
319.31
|
||||||||||||||||||
| Canonical SMILES |
CC(C)C(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C13H21NO8/c1-5(2)12(19)14-9-6(16)3-8(13(20)21)22-11(9)10(18)7(17)4-15/h3,5-7,9-11,15-18H,4H2,1-2H3,(H,14,19)(H,20,21)/t6-,7+,9+,10+,11+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MGEZPYCZSTXOIT-CNYIRLTGSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound