| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2004 | 6 | No |
Popular Name: Pyruvic acid Pyruvic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 113-24-6 , 114-76-1 , 127-17-3 , 142014-11-7 , 149732-45-6 , 2922-61-4 , 4151-33-1 , 52009-14-0 , [113-24-6] , [127-17-3]
127-17-3; 2-Oxopropanoate; 2-Oxopropanoic acid; C00022; Pyroracemic acid; Pyruvate; Pyruvic acid
2-Oxo-3-phenylpropionic acid sodium salt
2-oxopropanoic acid, ion(1-); pyruvate
4-03-00-01505 (Beilstein Handbook Reference)
alpha-Ketopropionic acid sodium salt
B3CFF0AD-2F35-484C-B062-4AC88A1B2830
Calcium pyruvate, anhydrous, 97%
InChI=1/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6
Natriumpyruvat; pyruvic acid, sodium salt
Phenylpyruvic acid sodium salt
Pyruvic acid calcium salt, anhydrous
Pyruvic Acid Sodium Salt [113-24-6]; (Sodium pyruvate)
| 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) | -0.90 | 2.73 | -41.42 | 0 | 3 | -1 | 57 | 87.054 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.34e+02 g/l | DrugBank-nutriceuticals |
| Melting_Point | 11-12? | Alfa-Aesar |
| Melting_Point | 11-12° | Alfa-Aesar |
| Mp [°C] | 11.8 | Acros Organics |
| UniProt Database Links | 12S_PROFR; 5S_PROFR; ACDH4_BURXL; ACEB_SCHPO; ACEB_YEAST; ACO12_HUMAN; ACO12_MOUSE; ACO12_RAT; ACS2_YEAST; ACUA_BACLD; ACXA_XANP2; ACXB_XANP2; ACXC_XANP2; ADHE_ECO57; ADHE_ECOLI; AGT21_ARATH; AGT22_ARATH; AGT23_ARATH; AGT2_BOVIN; AGT2_HUMAN; AGT2_MOUSE; A | ChEBI |
| Boiling_Point | 164-166? | Alfa-Aesar |
| Boiling_Point | 164-166° | Alfa-Aesar |
| BP [°C] | 165 | Acros Organics |
| BP | 62 / 12 | TCI |
| Purity | 93% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Purity | 99% | Fluorochem |
| MP | >300 °C(lit.) | Indofine |
| Melting_Point | >300? | Alfa-Aesar |
| Melting_Point | >300° | Alfa-Aesar |
| Hazard | C: Corrosive | Acros Organics |
| Warnings | Corrosive | Matrix Scientific |
| Patent Database Links | EP1302465; EP1357193; EP1364957; EP1364958; EP1400529; EP1510137; EP1520580; EP1544208; EP1548024; EP1550668; EP1574519; EP1577317; EP1609798; EP1637522; EP1637539; EP1681304; EP1721904; EP1724277; EP1724278; EP1731524; EP1743655; EP1743889; EP1743892; EP | ChEBI |
| Patent Database Links | EP1306083; EP1609462; EP1815856; EP1983044; US2007219157; US2007231351; US2007231896; US2007269412 | ChEBI |
| SOLUBILITY | H2O: 100 mg/mL | Indofine |
| H phrase | H314: Causes severe skin burns and eye damage | Acros Organics |
| H phrase | H318: Causes serious eye damage | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting | Acros Organics |
| P phrase | P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue r | Acros Organics |
| UniProt Database Links | PHDJ_NOCSK | ChEBI |
| R phrase | R34: Causes burns. | Acros Organics |
| R phrase | R35: Causes severe burns. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.