Basic information
- Standard SMILES
CC(=O)OP(=O)(O)O- InChIKey
LIPOUNRJVLNBCD-UHFFFAOYSA-N- Molecular formula
- C2H5O5P
- Average molar mass
- 140.03 g/mol
- Monoisotopic mass
- 139.98745989
Overview
Acetyl dihydrogen phosphate is an acyl monophosphate in which the acyl group specified is acetyl. It has a role as a mouse metabolite, an Escherichia coli metabolite and a human metabolite. It is a conjugate acid of an acetyl phosphate(1-).
Names & identifiers
- Preferred name
- Acetyl phosphate
- IUPAC
- phosphono acetate
- English name
- Acetylphosphate
- Molecular formula
- C2H5O5P
- Molecular weight
- 140.03
Names & synonyms
acetyl phosphate590-54-5DTXSID40207738RefChem:109068DTXCID90130229acetylphosphatephosphono acetateacetyl dihydrogen phosphate(acetyloxy)phosphonic acidacetic-phosphoricanhydrideacetyl-PAcetic acid, monoanhydride with phosphoric acid
Show more names
phosphono ethanoateacetyloxyphosphonic acidacetic acid phosphono esteracetic (dibenzyl phosphoric) anhydride
acetylphosphoric acid54979W5TJBAcetylphosphic acidUVWacetylphosphatLIPOUNRJVLNBCD-UHFFFAOYSA-Nmonoacetyl phosphatebmse000261
Database identifiers
- CAS
590-54-5- PubChem CID
- 186
- DTXSID
DTXSID40207738- ChEBI
CHEBI:15350- UNII
- 54979W5TJB
- Nikkaji
- J37.490C
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 133
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physical DescriptionSolid
Collision Cross Section
142.7 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
125.44 Ų [M+Na]+ [CCS Type: DT; Method: stepped-field]
124.6 Ų [M+Na]+
Physicochemical properties
- Boiling point
- 309.5 · 309.5±25.0 °C(Predicted)
- Density
- 1.663 · 1.663±0.06 g/cm3(Predicted)
- pka
- 1.25 · 1.25±0.10(Predicted)
- FDA UNII
- 54979 W5TJB · 54979W5TJB
Chemistry & industry
Pharmacology
Tissue LocationsPlacenta
Metabolite PathwaysLeigh Syndrome
Uses & manufacturing
Household ProductsInformation on 1 consumer products that contain Acetyl phosphate in the following categories is provided:
Upstream & downstream products
Upstream raw materials
Suppliers12 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
广州和为医药科技有限公司17612033329 17612033329
Alfa Chemistry+1-5166625404 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
Hebei Fengmu Trading Co., Ltd.+86-15632192160 · [email protected]
重庆卡兰医药有限公司[email protected]
Additional notes
DefinitionChEBI: An acyl monophosphate in which the acyl group specified is acetyl.
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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