Basic information
- CAS
1114-81-4- Standard SMILES
CC(OP(=O)(O)O)C(N)C(=O)O- InChIKey
USRGIUJOYOXOQJ-UHFFFAOYSA-N- Molecular formula
- C4H10NO6P
- Average molar mass
- 199.1 g/mol
- Monoisotopic mass
- 199.02457404
Overview
O-phosphonothreonine is an alpha-amino acid.
Names & identifiers
- Preferred name
- DL-threonine dihydrogen phosphate
- IUPAC
- 2-amino-3-phosphonooxybutanoic acid
- English name
- O-Phospho-L-threonine
- Molecular formula
- C4H10NO6P
- Molecular weight
- 199.1
Names & synonyms
O-phosphonothreonineDL-Threonine dihydrogen phosphateEINECS 248-512-5DTXSID10912145NSC 89296RefChem:589983DTXCID301001959248-512-5O-Phospho-DL-threonine27530-80-92-amino-3-phosphonooxybutanoic aciddl-O-Phosphothreonine
Show more names
H-THR(PO3H2)-OHO-PhosphothreonineH-O-Phospho-Thr-OHThreonine phosphateO-Phospho-L-threonineL-THREONINE O-PHOSPHATEOxo-Phospho-L-ThreonineL-Threonine, O-phosphono-(2S,3R)-O-PhosphothreonineO-Phospho-L-threonine
DL-Threonine phosphateH-Thr(POH)-OHNSC89296DL-Threonine, dihydrogen phosphate (ester)CHEMBL369507C4H10NO6PphosphothreoninNSC-89296
Database identifiers
- CAS
1114-81-4、27530-80-9- PubChem CID
- 1016
- DTXSID
Properties
Computed structural properties
- XLogP
- -4.7
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 212
Experimental & physicochemical properties
SpringerMaterials PropertiesCrystal structure
Physicochemical properties
- Melting point
- 169 °C · 169 °C
- Boiling point
- 454 · 454.0±55.0 °C(Predicted)
- Density
- 1.671 · 1.671±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- solubility
- 4 OH · NH4OH 1 M: 0.1 g/mL, clear, colorless
- pka
- 1.73 · 1.73±0.10(Predicted)
- form
- A solid
- color
- white
- optical activity
- -9.7 ° · -9.7°(C=0.01g/mI, H2O, 20°C, 589nm)
- BRN
- 1727078 · 1727078
- InChI
- 1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1
- InChIKey
- USRGIUJOYOXOQJ-GBXIJSLDSA-N
- SMILES
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P280, P302+P352, P321, P332+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 10
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H314
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Chemistry & industry
Applications
UsesO-Phospho-L-threonine is a threonine derivative[1].
Upstream & downstream products
Upstream raw materials
Suppliers46 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
Hangzhou Collab Medicine Co.,Ltd.+86-15936229464 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Syntechem Co.,Ltd[email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
上海颖心实验室设备有限公司021-59178156 17002132182 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海钰康生物科技有限公司+86-18930848214 +86-021-56762820 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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