(2S,3S,4R)-2,3,4,5-tetrahydroxypentanal
PubChem CID: 65550
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| Compound Synonyms | 1114-34-7, (2S,3S,4R)-2,3,4,5-tetrahydroxypentanal, D(-)-Lyxose, D-(-)-Lyxose, aldehydo-D-lyxose, D-lyxo-pentose, 65-42-9, M795K6HJOL, Lyxose, D-, (+-)-Lyxose, NSC-224430, D-lyxose (open form), SCHEMBL36425, CHEBI:16789, GEO-01633, s3338, AKOS006310478, ML05817, HY-128753, CS-0102557, L0073, NS00124565, Q56219426, 55A8B4D8-6588-403A-93AD-7BF5BE11C23E |
|---|---|
| Topological Polar Surface Area | 98.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 104.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (2S,3S,4R)-2,3,4,5-tetrahydroxypentanal |
| Prediction Hob | 1.0 |
| Xlogp | -2.3 |
| Molecular Formula | C5H10O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PYMYPHUHKUWMLA-UOWFLXDJSA-N |
| Fcsp3 | 0.8 |
| Logs | -0.108 |
| Rotatable Bond Count | 4.0 |
| Logd | -2.446 |
| Compound Name | (2S,3S,4R)-2,3,4,5-tetrahydroxypentanal |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 150.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 150.053 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 150.13 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.954794 |
| Inchi | InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4-,5-/m1/s1 |
| Smiles | C([C@H]([C@@H]([C@@H](C=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