Basic information
- Standard SMILES
CC(O)(CO)C(O)COP(=O)(O)O- InChIKey
XMWHRVNVKDKBRG-UHFFFAOYSA-N- Molecular formula
- C5H13O7P
- Average molar mass
- 216.13 g/mol
- Monoisotopic mass
- 216.03988975
Names & identifiers
- Preferred name
- (2,3,4-Trihydroxy-3-methylbutyl) dihydrogen phosphate
- IUPAC
- (2,3,4-trihydroxy-3-methylbutyl) dihydrogen phosphate
Names & synonyms
RefChem:1049586(2,3,4-trihydroxy-3-methylbutyl) dihydrogen phosphateSCHEMBL21410636
Database identifiers
- PubChem CID
- 31
Properties
Computed structural properties
- XLogP
- -3.3
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 201
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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