Basic information
- CAS
7183-41-7- Standard SMILES
O=P(O)(O)OC[C@@H](O)[C@@H](O)CO- InChIKey
QRDCEYBRRFPBMZ-IUYQGCFVSA-N- Molecular formula
- C4H11O7P
- Average molar mass
- 202.1 g/mol
- Monoisotopic mass
- 202.02423932
Overview
D-erythritol 4-phosphate is a tetritol phosphate consisting of D-erythritol having the phosphate at the 4-position. It is an alditol 4-phosphate and a tetritol phosphate. It is functionally related to an erythritol. It is a conjugate acid of a D-erythritol 4-phosphate(2-).
Names & identifiers
- Preferred name
- D-erythritol 4-phosphate
- IUPAC
- [(2R,3S)-2,3,4-trihydroxybutyl] dihydrogen phosphate
- English name
- erythritol 4-phosphate
- Molecular formula
- C4H11O7P
- Molecular weight
- 202.1
Names & synonyms
D-Erythritol 4-phosphateCHEBI:15770RefChem:937680GlyTouCan:G24385LSG24385LS(2R,3S)-2,3,4-trihydroxybutyl dihydrogen phosphate;D-erythritol 4-(dihydrogen phosphate)Erythritol 4-phosphate7183-41-7(2R,3S)-2,3,4-trihydroxybutyl dihydrogen phosphateL-Erythritol 1-phosphate4-O-phosphono-D-erythritolD-erythritol 4-(dihydrogen phosphate)
Show more names
L-Erythritol 1-phosphate lithium saltD-Erythritol 4-phosphate lithium saltD-Erythritol 4-phosphate lithium salt(2R,3S)-2,3,4-Trihydroxybutylphosphate lithium salt1,2,3,4-Butanetetrol, 1-(dihydrogen phosphate), (2R,3S)-
[(2R,3S)-2,3,4-trihydroxybutyl] dihydrogen phosphate1,2,3,4-Butanetetrol, 1-(dihydrogen phosphate), (S-(R*,S*))-erythritol-4-phosphate1u0g2,3,4-trihydroxybutyl dihydrogen phosphateSCHEMBL570977orb1690316CHEMBL3222164
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- -3.5
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Boiling point
- 556.8 · 556.8±60.0 °C(Predicted)
- Density
- 1.782 · 1.782±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- pka
- 1.84 · 1.84±0.10(Predicted)
- form
- solid
- color
- white to off-white
- InChI
- 1S/C4H11O7P/c5-1-3(6)4(7)2-11-12(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+/m0/s1
- InChIKey
- QRDCEYBRRFPBMZ-IUYQGCFVSA-N
- SMILES
- [P](=O)(OC[C@@H](O)[C@@H](O)CO)(O)O
- UNSPSC Code
- 12352201 · 12352201
- NACRES
- 25 · NA.25
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety data
- wgk
- 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Suppliers3 total
Additional notes
DefinitionChEBI: D-erythritol 4-phosphate is a tetritol phosphate consisting of D-erythritol having the phosphate at the 4-position. It is an alditol 4-phosphate and a tetritol phosphate. It is functionally related to an erythritol. It is a conjugate acid of a D-erythritol 4-phosphate(2-).
Related reactions
2 records
Compound notes
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