D-manno-2-heptulose
PubChem CID: 102926
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| Compound Synonyms | 1,3,4,5,6,7-hexahydroxyheptan-2-one, D-manno-2-Heptulose, 3615-44-9, NSC1216, L-GLUCO-HEPTULOSE, NSC-226836, Hept-2-ulose, Hept-2-ulose #, GLUCOHEPTULOSE,D, SCHEMBL677788, DTXSID80863079, NSC1217, CHEBI:167607, HSNZZMHEPUFJNZ-UHFFFAOYSA-N, NSC-1216, NSC-1217, NSC226836, DB-225890, NS00047762, Q47459280, 47A62F9D-A0A7-4AB5-91AD-4986A524FA51 |
|---|---|
| Topological Polar Surface Area | 138.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 183.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,3,4,5,6,7-hexahydroxyheptan-2-one |
| Prediction Hob | 0.0 |
| Class | Organooxygen compounds |
| Xlogp | -3.9 |
| Superclass | Organic oxygen compounds |
| Subclass | Carbohydrates and carbohydrate conjugates |
| Molecular Formula | C7H14O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HSNZZMHEPUFJNZ-UHFFFAOYSA-N |
| Fcsp3 | 0.8571428571428571 |
| Logs | 0.161 |
| Rotatable Bond Count | 6.0 |
| Logd | -2.492 |
| Synonyms | altro-Heptulose, D-altro-2-Heptulose, D-altro-Hept-2-ulose, Volemulose, Sedoheptulose, 1,3-di-(13)O-labeled |
| Compound Name | D-manno-2-heptulose |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 210.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 210.074 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 210.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | 1.6846716000000002 |
| Inchi | InChI=1S/C7H14O7/c8-1-3(10)5(12)7(14)6(13)4(11)2-9/h3,5-10,12-14H,1-2H2 |
| Smiles | C(C(C(C(C(C(=O)CO)O)O)O)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Heptoses |
- 1. Outgoing r'ship
FOUND_INto/from Medicago Sativa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Papaver Somniferum (Plant) Rel Props:Source_db:cmaup_ingredients