L-Mannitol
PubChem CID: 136460
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| Compound Synonyms | L-Mannitol, 643-01-6, (2S,3S,4S,5S)-Hexane-1,2,3,4,5,6-hexaol, L-mitobronitol, (2S,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol, CHEBI:38030, DTXSID40214523, D-Mannitol, EP, USP grade, MFCD00154039, SCHEMBL25330, DTXCID70137014, GEO-04675, AKOS016845898, AC-13700, DA-65030, HY-139312, CS-0197886, M1084, NS00076296, D91442, Q27117350, F0430C81-EA3D-4324-863D-08AB2852F39D |
|---|---|
| Topological Polar Surface Area | 121.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 105.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (2S,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol |
| Prediction Hob | 0.0 |
| Xlogp | -3.1 |
| Molecular Formula | C6H14O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FBPFZTCFMRRESA-BXKVDMCESA-N |
| Fcsp3 | 1.0 |
| Logs | -0.119 |
| Rotatable Bond Count | 5.0 |
| Logd | -2.316 |
| Compound Name | L-Mannitol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 182.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 182.079 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 182.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.3135336000000002 |
| Inchi | InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m0/s1 |
| Smiles | C([C@@H]([C@@H]([C@H]([C@H](CO)O)O)O)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hypericum Perforatum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Orobanche Coerulescens (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Orobanche Pycnostachya (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Pogostemon Cablin (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Punica Granatum (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Selaginella Pulvinata (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Selaginella Tamariscina (Plant) Rel Props:Source_db:cmaup_ingredients