| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2010 | 8 | No |
Popular Name: Maleic Acid Maleic Acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 110-16-7 , 17013-01-3 , 19855-56-2 , 2079-89-2 , 3105-55-3 , 371-47-1 , 4151-34-2 , 44742-89-4 , 53172-74-0 , 5873-57-4 , 689-82-7 , 869-06-7 , 97-67-6 , [44742-89-4]
(2Z)-3-carboxyacrylate; Hmale; hydrogen maleate
110-16-7; C01384; Maleate; Maleic acid; cis-Butenedioic acid
110-16-7; cis-butenedioic acid; maleate; maleic acid
2-Butenedioic acid (Z)-, manganese(2+) salt (2:1); LS-46999; Manganese dimaleate; Manganese maleate
CHEBI:43836; CHEBI:6653; CHEBI:25119
| 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 |
|---|
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 132-136? | Alfa-Aesar |
| Melting_Point | 132-136° | Alfa-Aesar |
| Mp [°C] | 134 - 138 | Acros Organics |
| MP | 137-140 °C(lit.) | Indofine |
| Purity | 99% | Fluorochem |
| UniProt Database Links | DTC_ARATH; HACA_METJA; HACB_METJA; LEUC_METJA; LEUD_METJA; MAIA_ALCFA; MAIA_GEOSE; MAIA_PSEPK; NICF_PSEPK; OPR1_SOLLC; PRCMA_TRYCC | ChEBI |
| Patent Database Links | EP0827954; EP0842936; EP0848991; EP0861843; EP0881203; EP0916338; EP0928782; EP0937457; EP0962438; EP0967210; EP0987259; EP0989119; EP1057808; EP1067174; EP1077080; EP1078925; EP1195377; EP1215192; EP1234514; EP1256343; EP1266654; EP1277753; EP1284268; EP | ChEBI |
| H phrase | H317: May cause an allergic skin reaction | Acros Organics |
| H phrase | H317: May cause an allergic skin reaction; H335: May cause respiratory irritation; H319: Causes serious eye irritation; H315: Causes skin irritation; H302: Harmful if swallowed | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| R phrase | R22: Harmful if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin.; R43: May cause sensitisation by skin contact. | Acros Organics |
| Patent Database Links | US2004220225; US2007259890; US2008292608; WO2005014544; WO2005116000; WO2006084176; WO2007089667 | ChEBI |
| Hazard | XN: Harmful | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q5AJ71-4-F | Carbonic Anhydrase (cluster #4 Of 4), Fungal | Fungi | 8600 | 0.89 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q5AJ71_CANAL | Q5AJ71 | Carbonic Anhydrase, Canal | 8600 | 0.89 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.