Basic information
- Standard SMILES
CC(O)(CCOP(=O)(O)O)CC(=O)O- InChIKey
OKZYCXHTTZZYSK-UHFFFAOYSA-N- Molecular formula
- C6H13O7P
- Average molar mass
- 228.14 g/mol
- Monoisotopic mass
- 228.03988939
Overview
3-hydroxy-3-methyl-5-phosphonooxypentanoic acid is a monoalkyl phosphate.
Names & identifiers
- Preferred name
- Phosphomevalonic acid
- IUPAC
- 3-hydroxy-3-methyl-5-phosphonooxypentanoic acid
- English name
- Mevalonic acid-5-phosphate
- Molecular formula
- C6H13O7P
- Molecular weight
- 228.14
Names & synonyms
Phosphomevalonic acid1189-94-2DTXSID00868263RefChem:929180DTXCID408163893-hydroxy-3-methyl-5-phosphonooxypentanoic acid5-phosphomevalonic acid3-Hydroxy-3-methyl-5-(phosphonooxy)pentanoic acidMevalonic Acid 5-Phosphate HydrateMEVALONIC ACID-5-PHOSPHATESCHEMBL599363CHEBI:125405
Show more names
NS00124092Q952532BRD-A47441220-001-01-0Pentanoic acid, 3-hydroxy-3-methyl-5-(phosphonooxy)-
Database identifiers
- CAS
1189-94-2- PubChem CID
- 476
- DTXSID
DTXSID00868263- ChEBI
CHEBI:125405- Nikkaji
- J760.488B
Properties
Computed structural properties
- XLogP
- -2.1
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 247
Physicochemical properties
- Boiling point
- 521 · 521.0±60.0 °C(Predicted)
- Density
- 1.57 · 1.570±0.06 g/cm3(Predicted)
- pka
- 1.94 · 1.94±0.10(Predicted)
Chemistry & industry
Applications
UsesMevalonic Acid 5-Phosphate is used in the a key step in the mevalonate pathway for isoprenoid and sterol biosynthesis.
Suppliers2 total
Alfa Chemistry+1-5166625404 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
Additional notes
DefinitionChEBI: 3-hydroxy-3-methyl-5-phosphonooxypentanoic acid is a monoalkyl phosphate.
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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