Basic information
- CAS
89418-95-1- Standard SMILES
O=CC(O)C(O)COP(=O)(O)O- InChIKey
NGHMDNPXVRFFGS-UHFFFAOYSA-N- Molecular formula
- C4H9O7P
- Average molar mass
- 200.08 g/mol
- Monoisotopic mass
- 200.00858962
Overview
D-Erythrose 4-phosphate is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).
Names & identifiers
- Preferred name
- Tetrose, 4-phosphate
- IUPAC
- (2,3-dihydroxy-4-oxobutyl) dihydrogen phosphate
Names & synonyms
Tetrose, 4-phosphateDTXSID6086224289418-95-1RefChem:1099762(2,3-dihydroxy-4-oxobutyl) dihydrogen phosphateDTXCID00811037CHEMBL75612SCHEMBL2619121D-Erythrose-4-phosphate sodium saltBDBM50071521DB-222648NS00123732
Show more names
2,3-Dihydroxy-4-oxobutyl dihydrogen phosphate(2,3-DIHYDROXY-4-OXO-BUTOXY)PHOSPHONIC ACIDPhosphoric acid mono-(2,3-dihydroxy-4-oxo-butyl) ester
Database identifiers
- CAS
89418-95-1- PubChem CID
- 697
- DTXSID
DTXSID60862242- ChEMBL
CHEMBL75612
Properties
Computed structural properties
- XLogP
- -3.3
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 186
Experimental & physicochemical properties
Collision Cross Section152.9 Ų [M+Na]+
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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