Basic information
- CAS
3913-50-6- Standard SMILES
O=C(O)C(=O)COP(=O)(O)O- InChIKey
LFLUCDOSQPJJBE-UHFFFAOYSA-N- Molecular formula
- C3H5O7P
- Average molar mass
- 184.04 g/mol
- Monoisotopic mass
- 183.97728949
Overview
3-phosphonooxypyruvic acid is a carboxyalkyl phosphate that is pyruvic acid substituted at position 3 by a 3-phosphonooxy group. It is functionally related to a pyruvic acid. It is a conjugate acid of a 3-phosphonatooxypyruvate(3-).
Names & identifiers
- Preferred name
- Phosphohydroxypyruvic acid
- IUPAC
- 2-oxo-3-phosphonooxypropanoic acid
- English name
- 3-Hydroxy-2,2-dimethoxy-propanoic acid 3-phosphate tri(cyclohexylammonium) salt
- Molecular formula
- C3H5O7P
- Molecular weight
- 184.04
Names & synonyms
3913-50-62-oxo-3-(phosphonooxy)propanoic acidPhosphohydroxypyruvic acid3-phosphonooxypyruvate2-oxo-3-phosphonooxypropanoic acidPropanoic acid, 2-oxo-3-(phosphonooxy)-ZX4PWG857LDTXSID70959935RefChem:862009DTXCID608119323-Phosphonooxypyruvic acidHydroxypyruvic acid phosphate
Show more names
3 phosphohydroxypyruvate3-phosphonooxypyruvicaciPhosphohydroxypyruvic acid, 98+%2-oxo-3-phosphonooxy-propanoic acid2,2-dimethoxypropanoic acid 3-phosphateHydroxypyruvic acid phosphate lithium salt
3-phosphohydroxypyruvate3-Phosphohydroxypyruvic acid3-Phosphooxypyruvate3-p-hydroxy-pyr3-p-OH-pyruvatephosphohydroxypyruate3-P-hydroxypyruvate3-phosphohydroxy-pyr
Database identifiers
- CAS
3913-50-6- PubChem CID
- 105
Properties
Computed structural properties
- XLogP
- -2.1
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 214
Experimental & physicochemical properties
Physical DescriptionSolid
Physicochemical properties
- Boiling point
- 432.4 · 432.4±47.0 °C(Predicted)
- Density
- 1.93 · 1.930
- storage temp.
- 20 °C · −20°C
- pka
- 1.58 · 1.58±0.10(Predicted)
- FDA UNII
- 4 PWG857L · ZX4PWG857L
- UNSPSC Code
- 12352106 · 12352106
- NACRES
- 25 · NA.25
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312
- Precautionary statements
- 264 · P264-P270-P280-P301+P312-P302+P352+P312-P362+P364
- Hazard Codes
- Xn
- Risk Statements
- 21 · 21/22
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- ridadr
- UN 2811 6.1/PG 3
- risk_code
- 21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 36/37
- Hazard statements
- H302+H312
- Precautionary statements
- P264-P270-P280-P301+P312-P302+P352+P312-P362+P364
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Metabolite Pathways3-Phosphoglycerate dehydrogenase deficiency
Applications
Uses3-Hydroxy-2,2-dimethoxy-propanoic Acid-3-phosphatetri(cyclohexylammonium) Salt is used in the preparation of mTORC1 signaling agents that activates ATF.
Suppliers16 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
上海贺康生物技术有限公司17721021104 18939837085 · [email protected]
天津阿尔塔科技有限公司022-65378550-8551 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…