| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 8 | Yes |
Popular Name: D-Allo-Threonine D-Allo-Threonine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 114-98-9 , 144-98-9 , 24830-94-2 , 28954-12-3 , 632-20-2 , 7004-04-8 , 72-19-5 , 80-68-2 , [632-20-2] , [80-68-2]
(+/-)-2-Amino-3-hydroxybutyric acid
(2R,3R)-2-Amino-3-hydroxybutanoic acid
(2R,3R)-2-Amino-3-hydroxybutyric acid
(2R,3R)-allothreonine; (R)-allothreonine
(2S,3R)-2-Amino-3-hydroxybutanoic acid
2-Amino-3-hydroxy-butyric acid
2-amino-3-hydroxybutanoic acid
24830-94-2; C12317; D-Allothreonine; D-allo-Threonine
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -3.30 | -1.71 | -42.29 | 4 | 4 | 0 | 88 | 119.12 | 2 | ↓ |
| Hi High (pH 8-9.5) | -3.30 | -2.03 | -48.5 | 3 | 4 | -1 | 86 | 118.112 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 268? dec. | Alfa-Aesar |
| MP | 268° (dec) | Matrix Scientific |
| Melting_Point | 268° dec. | Alfa-Aesar |
| MP | 28 - 30 | Enamine Building Blocks |
| MP | 28...30 | Enamine Building Blocks |
| ALOGPS_SOLUBILITY | 4.77e+02 g/l | DrugBank-experimental |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95+% | Matrix Scientific |
| Purity | 97% | APIChem |
| Purity | 98% | Fluorochem |
| Melting_Point | ca 244? dec. | Alfa-Aesar |
| Melting_Point | ca 244° dec. | Alfa-Aesar |
| UniProt Database Links | DTA_ARTSP | ChEBI |
| UniProt Database Links | DTA_ARTSP; YDFG_ECOLI | ChEBI |
| Patent Database Links | EP0898963; EP0922699; EP0933365; EP0951842; EP0971025; EP1106609; EP1113008; EP1123929; EP1219634; EP1323419; EP1323420; EP1348759; EP1364941; EP1422218; EP1505062; EP1512413; EP1536000; EP1550720; EP1552826; EP1557173; EP1566180; EP1566181; EP1574578; EP | ChEBI |
| Patent Database Links | EP1422218; EP1698638 | ChEBI |
| Warnings | IRRITANT | Matrix Scientific |
| Notes | USP, pyrogen free | Apollo Scientific Bioactives |
