Basic information
- Standard SMILES
CC(C)=CCOP(=O)(O)OP(=O)(O)O- InChIKey
CBIDRCWHNCKSTO-UHFFFAOYSA-N- Molecular formula
- C5H12O7P2
- Average molar mass
- 246.09 g/mol
- Monoisotopic mass
- 246.00582598
Overview
Prenyl diphosphate is a prenol phosphate that is a phosphoantigen comprising the O-pyrophosphate of prenol. It has a role as an epitope, a phosphoantigen, a mouse metabolite and an Escherichia coli metabolite. It is a conjugate acid of a prenyl diphosphate(3-).
Names & identifiers
- Preferred name
- Dimethylallyl Pyrophosphate
- IUPAC
- 3-methylbut-2-enyl phosphono hydrogen phosphate
- English name
- GAMMA GAMMA-DIMETHYLALLYL PYROPHOSPHATE&
- Molecular formula
- C5H12O7P2
- Molecular weight
- 246.09
Names & synonyms
Dimethylallyl diphosphate358-72-5Prenyl diphosphateDimethylallyl pyrophosphate3,3-dimethylallyl pyrophosphate2-Isopentenyl diphosphate3-methylbut-2-enyl phosphono hydrogen phosphateMonoprenyl diphosphatedimethylallyl-PPCHEBI:16057Prenol pyrophosphatedelta2-Isopentenyl diphosphate
Show more names
Dimethylallylpyrophosphate3,3-dimethylallylpyrophosphate3-Methyl-2-butene-1-ol diphosphateDIMETHYLALLYL PYROPHOSPHATE, NH4+ saltPyrophosphoric acid α-isopentenyl esterGAMMA GAMMA-DIMETHYLALLYL PYROPHOSPHATE&Diphosphoric acid α-(3-methyl-2-butenyl) esterDiphosphoric acid P1-(3-methyl-2-butenyl) ester
DTXSID70189331di-CH3-allyl-PPiDMADP cpd(3-methylbut-2-enoxy-oxidophosphoryl) phosphateRefChem:868481DTXCID00219650delta-Prenyl diphosphateprenyl diphosphate trianion
Database identifiers
- CAS
358-72-5- PubChem CID
- 647
- DTXSID
DTXSID70189331- ChEMBL
CHEMBL343480- ChEBI
CHEBI:16057- Nikkaji
- J39.581A
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 299
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C5 isoprenoids (hemiterpenes) [PR0101]
Melting Point234 - 238 °C
Physical DescriptionSolid
Collision Cross Section143.1 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
Physicochemical properties
- Boiling point
- 417 · 417.0±38.0 °C(Predicted)
- Density
- 1.557 · 1.557±0.06 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- pka
- 1.08 · 1.08±0.50(Predicted)
- Hazard Codes
- T
- Risk Statements
- 10 · 10-23/24/25-39/23/24/25
- Safety Statements
- 7 · 7-16-36/37-45
- RIDADR
- 1230 · UN 1230 3/PG 2
Safety & regulation
Safety data
- ridadr
- UN 1230 3/PG 2
- risk_code
- 10-23/24/25-39/23/24/25
- hazard_code
- T
- safety_code
- 7-16-36/37-45
Chemistry & industry
Pharmacology
Tissue LocationsSkeletal Muscle
Cellular LocationsPeroxisome
Metabolite PathwaysAlendronate Action Pathway
Applications
UsesDMAPP (Dimethylallyl pyrophosphate) is an isoprenoid precursor. DMAPP, as an isomer of isopentenyl pyrophosphate (IPP), exists in virtually all life forms[1].
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers3 total
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
SUZHOU SENFEIDA CHEMICAL CO.,LTD+86-0512-83500002 +86-15195660023 · [email protected]
Additional notes
DefinitionChEBI: A phosphoantigen comprising the O-pyrophosphate of prenol.
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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