| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2004 | 9 | Yes |
Popular Name: D-Asparagine D-Asparagine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 2058-58-4 , 29913-73-3 , 3130-87-8 , 5794-13-8 , 5794-24-1 , 69833-18-7 , 70-47-3 , 7006-34-0 , [29913-73-3] , [5794-24-1] , [70-47-3]
"D-Asparagine monohydrate, 99%"
(2R)-2-amino-3-carbamoylpropanoic acid
(2R)-4-amino-2-ammonio-4-oxobutanoate
(R)-2,4-Diamino-4-oxobutanoic acid
(R)-2,4-Diamino-4-oxobutanoic acid hydrate
2-amino-3-carbamoylpropanoic acid
2-amino-3-carbamoylpropanoic acid hydrate
2058-58-4; C01905; D-Asparagine
3130-87-8; Asparagine; C16438; DL-Asparagine
Asparagine; Asparagine (VAN); LS-185144
D-(-)-Asparagine monohydrate, 99%
DL-2-Aminosuccinamic acid hydrate
DL-2-Aminosuccinamic acid monohydrate
DL-Asparagine monohydrate, 98%
| 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) | -2.81 | -2.81 | -31.75 | 5 | 5 | 0 | 111 | 132.119 | 3 | ↓ |
| Hi High (pH 8-9.5) | -2.81 | -3.15 | -44.2 | 4 | 5 | -1 | 109 | 131.111 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.68e+02 g/l | DrugBank-experimental |
| UniProt Database Links | 1A11_ARATH; 2A5D_YEAST; 2A5E_ARATH; 2A5N_ARATH; 3CP1_STRS9; 3CP2_STRSQ; 458R_IIV6; 5HT1B_MOUSE; 5HT1B_RAT; 5NTC_DICDI; 5NTD_RHIMP; 7TMK1_DICDI; 7TMK2_DICDI; A18_YLDV; A1AG1_HUMAN; A1AG2_HUMAN; A1AT_HUMAN; A31_VAR67; A9_VACCW; AAAT_BOVIN; AAAT_HUMAN; AAAT_ | ChEBI |
| MP | 218 - 220 | Enamine Building Blocks |
| MP | 218...220 | Enamine Building Blocks |
| MP | 219 - 220 | Enamine Building Blocks |
| Mp [°C] | 220 | Acros Organics |
| MP | 220 - 220 | Enamine Building Blocks |
| MP | 220 - 222 | Enamine Building Blocks |
| Melting_Point | 274-276? dec. | Alfa-Aesar |
| Melting_Point | 274-276° dec. | Alfa-Aesar |
| MP | 275 °C (dec.)(lit.) | Indofine |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Purity | 97% | Fluorochem |
| Purity | 98% | Fluorochem |
| Melting_Point | ca 220? dec. | Alfa-Aesar |
| Melting_Point | ca 220° dec. | Alfa-Aesar |
| UniProt Database Links | DAPDH_URETH; FULI_ACHFU | ChEBI |
| Patent Database Links | EP0898963; EP0933365; EP0971025; EP1113008; EP1132380; EP1214933; EP1219634; EP1236716; EP1323419; EP1323420; EP1348759; EP1364941; EP1369134; EP1523985; EP1536000; EP1538208; EP1547606; EP1557469; EP1559718; EP1566180; EP1566181; EP1586558; EP1586583; EP | ChEBI |
| Patent Database Links | EP1586583; EP1878437; US2004034080; US2005085547; US2005130881; US2007185033 | ChEBI |
| Warnings | IRRITANT | Matrix Scientific |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
