| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 8th, 2004 | 8 | Yes |
Popular Name: L-Allothreonine L-Allothreonine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 144-98-9 , 24830-94-2 , 28954-12-3 , 632-20-2 , 7004-04-8 , 72-19-5 , 80-68-2 , [28954-12-3] , [80-68-2]
(+/-)-2-Amino-3-hydroxybutyric acid
(2S,3R)-2-Amino-3-hydroxybutanoic acid
(2S,3S)-2-Amino-3-hydroxybutanoic acid
(2S,3S)-2-amino-3-hydroxybutanoic acid; allo-L-threonine
(2S,3S)-2-Amino-3-hydroxybutyric acid
2-amino-3-hydroxybutanoic acid
28954-12-3; C05519; L-Allothreonine; L-allo-Threonine
Allo-L-threonine; BRN 1721645; EINECS 249-327-2; LS-16373; NSC 206283
CHEBI:40698; CHEBI:6174; CHEBI:21221
DL-Allothreonine (contains 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 | -2.26 | -43 | 4 | 4 | 0 | 88 | 119.12 | 2 | ↓ |
| Hi High (pH 8-9.5) | -3.30 | -2.56 | -45.61 | 3 | 4 | -1 | 86 | 118.112 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 256 | Acros Organics |
| Melting_Point | 272? dec. | Alfa-Aesar |
| Melting_Point | 272° dec. | Alfa-Aesar |
| MP | 28 - 30 | Enamine Building Blocks |
| MP | 28...30 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Fluorochem |
| Melting_Point | ca 244? dec. | Alfa-Aesar |
| Melting_Point | ca 244° dec. | Alfa-Aesar |
| 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 | EP1586558; US2002111365; US2002198378; US2003144342; US2004002542; US2004063771; US2004171653; US2006020009; US2006040974; US2006094789; US2006128963; US2006166895; US2008176842; WO2005009950; WO2006044775 | ChEBI |
| UniProt Database Links | GLY1_ASHGO; GLY1_CANAX; GLY1_SCHPO; GLY1_YEAST; GLYA1_MYCTU; GLYA2_MYCTU; GLYA_HYDTT; GLYA_METBF; GLYA_METJA; GLYA_SULSO; LTAA_AERJA; LTAE_ECO57; LTAE_ECOLI; LTAE_PSEAE; LTAE_PSEUN; YDFG_ECO57; YDFG_ECOL6; YDFG_ECOLI; YDFG_SALTI; YDFG_SALTY; YDFG_SHIFL | ChEBI |
| UniProt Database Links | GLY1_ASHGO; GLY1_CANAX; GLY1_SCHPO; GLY1_YEAST; GLYA_HYDTT; GLYA_METJA; LTAA_AERJA; LTAE_ECO57; LTAE_ECOLI; LTAE_PSEAE; LTAE_PSEUN | ChEBI |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| Notes | USP, pyrogen free | Apollo Scientific Bioactives |
