Sedoheptulosan
PubChem CID: 5460956
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Sedoheptulose anhydride, Sedoheptulosan, 469-90-9, 2,7-Anhydro-beta-D-altro-heptulopyranose, (1R,2S,3R,4S,5R)-5-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol, Sedoheptulose anhydride monohydrate, 2,7-anhydro-beta-D-altro-hept-2-ulopyranose, CHEBI:32488, .beta.-D-altro-2-Heptulopyranose, 2,7-anhydro-, 58266-81-2, SCHEMBL489160, DTXSID601317385, EX-A8167, MFCD00150523, AKOS040763771, HY-W145500, MS08092, DB-226882, CS-0214434, 2,7-Anhydro-b-D-altro-heptulopyranose, Sedoheptulosan, Q27114957 |
|---|---|
| Topological Polar Surface Area | 99.4 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 13.0 |
| 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 |
| Prediction Hob | 1.0 |
| Xlogp | -2.5 |
| Molecular Formula | C7H12O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GKUQBELMWYQKKJ-BNWJMWRWSA-N |
| Fcsp3 | 1.0 |
| Logs | -4.139 |
| Rotatable Bond Count | 1.0 |
| Logd | 5.666 |
| Compound Name | Sedoheptulosan |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 192.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 192.063 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 192.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.5843646 |
| Inchi | InChI=1S/C7H12O6/c8-2-7-6(11)5(10)4(9)3(13-7)1-12-7/h3-6,8-11H,1-2H2/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 |
| Nring | 4.0 |
| 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