d-Glycero-d-manno-octulose
PubChem CID: 102060354
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| Compound Synonyms | d-glycero-d-manno-octulose, D-glycero-D-manno-2-Octulose, 13111-79-0, Q48938038, (3S,4S,5R,6R,7R)-1,3,4,5,6,7,8-heptahydroxyoctan-2-one |
|---|---|
| Topological Polar Surface Area | 159.0 |
| Hydrogen Bond Donor Count | 7.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 220.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (3S,4S,5R,6R,7R)-1,3,4,5,6,7,8-heptahydroxyoctan-2-one |
| Prediction Hob | 0.0 |
| Xlogp | -4.5 |
| Molecular Formula | C8H16O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KSHYQYHHIKNYAY-PNAXYBNRSA-N |
| Fcsp3 | 0.875 |
| Logs | 0.295 |
| Rotatable Bond Count | 7.0 |
| Logd | -2.64 |
| Compound Name | d-Glycero-d-manno-octulose |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 240.085 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 240.085 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 240.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.9551104000000004 |
| Inchi | InChI=1S/C8H16O8/c9-1-3(11)5(13)7(15)8(16)6(14)4(12)2-10/h3,5-11,13-16H,1-2H2/t3-,5-,6-,7-,8-/m1/s1 |
| Smiles | C([C@H]([C@H]([C@H]([C@@H]([C@@H](C(=O)CO)O)O)O)O)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aloe Microstigma (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Chrozophora Prostrata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Papaver Somniferum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all