(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
PubChem CID: 94780
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| Compound Synonyms | 1990-29-0, (2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexanal, D(+)-Altrose, aldehydo-D-altrose, 5PLN1O36FF, Altrose, D-, UNII-5PLN1O36FF, D-(+)-ALTROSE, NSC-2573, EINECS 217-870-4, D-ALRTOSE, D-ALTROSE [MI], ALTROSE, (+)-, SCHEMBL15894565, DTXSID10894871, CHEBI:229244, NSC 2573, GEO-00058, AKOS027320138, HY-W145652, MA06614, CS-0226081, NS00081857, G87017, Q423207, 41846-94-0, 5987-68-8 |
|---|---|
| Topological Polar Surface Area | 118.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 138.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexanal |
| Prediction Hob | 1.0 |
| Xlogp | -2.9 |
| Molecular Formula | C6H12O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GZCGUPFRVQAUEE-ARQDHWQXSA-N |
| Fcsp3 | 0.8333333333333334 |
| Logs | 0.129 |
| Rotatable Bond Count | 5.0 |
| Logd | -2.4 |
| Compound Name | (2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexanal |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 180.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 180.063 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 180.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.2252328000000001 |
| Inchi | InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4-,5+,6-/m1/s1 |
| Smiles | C([C@H]([C@H]([C@H]([C@@H](C=O)O)O)O)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pogostemon Cablin (Plant) Rel Props:Source_db:cmaup_ingredients