(2S)-2-Hydroxypentanoic acid
PubChem CID: 6950703
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| Compound Synonyms | 41014-93-1, (S)-2-Hydroxyvaleric acid, (S)-2-HYDROXYPENTANOIC ACID, (2S)-2-hydroxypentanoic acid, EINECS 255-175-8, MFCD11975325, DTXSID301016643, (S)-2-hydroxyvalericacid, SCHEMBL360594, (s)-(+)2-hydroxypentanoic acid, WLZ3069, JRHWHSJDIILJAT-BYPYZUCNSA-N, DTXCID301474837, AKOS006377426, CS-W007126, DS-6179, FS159117, NS00088389, EN300-316679, 255-175-8 |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 79.7 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-2-hydroxypentanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 0.4 |
| Molecular Formula | C5H10O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JRHWHSJDIILJAT-BYPYZUCNSA-N |
| Fcsp3 | 0.8 |
| Logs | 0.112 |
| Rotatable Bond Count | 3.0 |
| Logd | -0.846 |
| Compound Name | (2S)-2-Hydroxypentanoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 118.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 118.063 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 118.13 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.6579183999999998 |
| Inchi | InChI=1S/C5H10O3/c1-2-3-4(6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8)/t4-/m0/s1 |
| Smiles | CCC[C@@H](C(=O)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aloe Africana (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Aloe Spicata (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Aloe Vera (Plant) Rel Props:Source_db:cmaup_ingredients