(2R,3S,4S)-2-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]pentane-1,2,3,4,5-pentol
PubChem CID: 162944521
Connections displayed (default: 10).
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| Topological Polar Surface Area | 201.0 |
|---|---|
| Hydrogen Bond Donor Count | 9.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 356.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 8.0 |
| Iupac Name | (2R,3S,4S)-2-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]pentane-1,2,3,4,5-pentol |
| Prediction Hob | 0.0 |
| Xlogp | -5.5 |
| Molecular Formula | C12H24O11 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KMBKXANDSFBRCO-AWVQATRTSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.381 |
| Rotatable Bond Count | 8.0 |
| Logd | -2.616 |
| Compound Name | (2R,3S,4S)-2-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]pentane-1,2,3,4,5-pentol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 344.132 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 344.132 |
| Hydrogen Bond Acceptor Count | 11.0 |
| Molecular Weight | 344.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.9930594000000004 |
| Inchi | InChI=1S/C12H24O11/c13-1-5(16)10(20)12(21,3-15)4-22-11-9(19)8(18)7(17)6(2-14)23-11/h5-11,13-21H,1-4H2/t5-,6+,7-,8-,9+,10-,11-,12+/m0/s1 |
| Smiles | C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@](CO)([C@H]([C@H](CO)O)O)O)O)O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Andrographis Paniculata (Plant) Rel Props:Source_db:cmaup_ingredients