Basic information
- CAS
4378-06-7- Standard SMILES
CCCC(=O)OP(=O)(O)O- InChIKey
JSHMCUNOMIZJDJ-UHFFFAOYSA-N- Molecular formula
- C4H9O5P
- Average molar mass
- 168.08 g/mol
- Monoisotopic mass
- 168.01876038
Overview
Butanoyl dihydrogen phosphate is an acyl monophosphate where the acyl groups is butanoyl. It is a conjugate acid of a butanoyl phosphate(2-).
Names & identifiers
- Preferred name
- Butyryl phosphate
- IUPAC
- phosphono butanoate
- English name
- Butyryl Phosphate
- Molecular formula
- C4H9O5P
- Molecular weight
- 168
Names & synonyms
butanoyl dihydrogen phosphatebutyryl phosphate6Z2QPF6UPQCHEBI:17260DTXSID80963109RefChem:1080529DTXCID2013908784378-06-7butanoyl phosphatebutanoyloxyphosphonic acidphosphono butanoateButyric phosphoric anhydride
Show more names
Butanoic acid monoanhydride with phosphoric acidButanoic acid, anhydride with phosphoric acid (1:1)
ButanoylphosphateButyryl phosphate dilithiumButyric acid, anhydride with H3PO4Butyric acid, monoanhydride with phosphoric acidButanoic acid, phosphono esterButanoic acid, monoanhydride with phosphoric acidButanoyl phosphate (C3H7C(:O)OP(:O)(OH)2)butyric acid phosphate
Database identifiers
- CAS
4378-06-7- PubChem CID
- 266
- DTXSID
DTXSID80963109- ChEBI
CHEBI:17260- UNII
- 6Z2QPF6UPQ
- Nikkaji
- J2.367.846B
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 159
Physicochemical properties
- Boiling point
- 316 · 316.0±25.0 °C(Predicted)
- Density
- 1.434 · 1.434±0.06 g/cm3(Predicted)
- solubility
- Water (Slightly, Heated)
- form
- Solid
- pka
- 1.45 · 1.45±0.10(Predicted)
- color
- White to Off-White
- Stability
- Hygroscopic, Temperature Sensitive
- FDA UNII
- 6 Z2QPF6UPQ · 6Z2QPF6UPQ
Chemistry & industry
Applications
UsesButyryl phosphate has a role in metabolism of Clostridium tetanomorphum.
Suppliers3 total
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Additional notes
DefinitionChEBI: Butanoyl dihydrogen phosphate is an acyl monophosphate where the acyl groups is butanoyl. It is a conjugate acid of a butanoyl phosphate(2-).
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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