Sedoheptulose anhydride monohydrate
PubChem CID: 16219957
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| Compound Synonyms | Sedoheptulose anhydride monohydrate, AKOS024319163, B7D9656A-970A-4034-801E-AA7465E3007F |
|---|---|
| Topological Polar Surface Area | 100.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 209.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (1R,2S,3R,4S,5R)-5-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol, hydrate |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Is Pains | False |
| Molecular Formula | C7H14O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | TXADMKCMMLBFTL-CQJQEINESA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 1.0 |
| Compound Name | Sedoheptulose anhydride monohydrate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 210.074 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 210.074 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 210.18 |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.7687716000000002 |
| Inchi | InChI=1S/C7H12O6.H2O/c8-2-7-6(11)5(10)4(9)3(13-7)1-12-7, /h3-6,8-11H,1-2H2, 1H2/t3-,4-,5-,6+,7-, /m1./s1 |
| Smiles | C1[C@@H]2[C@H]([C@H]([C@@H]([C@](O1)(O2)CO)O)O)O.O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Carica Papaya (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Papaver Somniferum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Sedum Sarmentosum (Plant) Rel Props:Source_db:cmaup_ingredients