|
|
|
|
ScientificNameLabel
|
|
|
|
|
|
More Details :
|
|
|
| Names & Synonyms: |
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (1E)-5-methylsulfinyl-N-sulfooxy-pentanimidothioate , (1E)-5-methylsulfinyl-N-sulfooxypentanimidothioic acid [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl] ester , [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-5-methylsulfinyl-N-sulfooxypentanimidothioate , [(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] (1E)-5-methylsulfinyl-N-sulfooxy-pentanimidothioate , (1E)-5-methylsulfinyl-N-sulfoxy-thiovalerimidic acid [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl] ester
|
| Smiles: |
OC[C@H]1O[C@@H](S/C(=N/OS(=O)(=O)O)/CCCC[S@](=O)C)[C@@H]([C@H]([C@@H]1O)O)O
|
| InChi : |
InChI=1S/C12H23NO10S3/c1-25(18)5-3-2-4-8(13-23-26(19,20)21)24-12-11(17)10(16)9(15)7(6-14)22-12/h7,9-12,14-17H,2-6H2,1H3,(H,19,20,21)/b13-8+/t7-,9-,10+,11-,12+,25-/m1/s1
|
| InChi Key : |
InChIKey=GMMLNKINDDUDCF-JRWRFYLSSA-N
|
| PubChem ID : |
9548634
|
|
|
|
| Rotatable bond count : |
10
|
Rule of five : |
0
|
| Hydrogen bond acceptor count : |
9
|
Ionization potential : |
8.976122
|
| Hydrogen bond donor count : |
5
|
Electric dipole moment : |
6.495
|
| XLogP : |
-2.932
|
VDW volume : |
355.541456
|
| Molecular weight : |
437.048409
|
HOMO-LUMO gap : |
8.246000
|
|
|
|
| Herb list : |
|
| Refrences & Litretures: |
|
|
|
|
|
|
|