Basic information
- CAS
492-46-6- Standard SMILES
NC(C(=O)O)C(O)c1ccc(O)c(O)c1- InChIKey
QXWYKJLNLSIPIN-UHFFFAOYSA-N- Molecular formula
- C9H11NO5
- Average molar mass
- 213.19 g/mol
- Monoisotopic mass
- 213.06372245
Names & identifiers
- Preferred name
- dl-3,4-Dihydroxyphenylserine
- IUPAC
- 2-amino-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoic acid
- English name
- DOPS
- Molecular formula
- C9H11NO5
- Molecular weight
- 213.19
Names & synonyms
492-46-6dl-3,4-DihydroxyphenylserineDTXSID80860306RefChem:1083884DTXCID202100882-amino-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoic acidbeta,3-DihydroxytyrosineMFCD00004266H-DL-beta-(3,4-Dihydroxyphenyl)-DL-Ser-OHL-DOPS;DOPS;SM5688DioxyphenylserinSerine, 3-(3,4-dihydroxyphenyl)-
Show more names
β,3-DihydroxytyrosineDihydroxyphenylserineTyrosine, β,3-dihydroxy-Tyrosine, beta,3-dihydroxy-3-(3,4-dihydroxyphenyl)serineH-DL-β-(3,4-Dihydroxyphenyl)-DL-Ser-OHSerine, 3-(3,4-dihydroxyphenyl)- (6CI, 7CI, 8CI)
(2RS,3RS)-2-Amino-3-(3,4-dihydroxy-phenyl)-3-hydroxy-propionic acid;DL-DOPS;DL-DroxidopaNCGC00164537-01D-Threo-3,4-Dihydroxyphenylserine HydrochlorideSCHEMBL129758CHEMBL1593851rel-(2R,3S)-2-Amino-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoic acid2-amino-3-(3,4-dihydroxyphenyl)-3-hydroxy-propanoic acidHMS5087M14
Database identifiers
- CAS
492-46-6- PubChem CID
- 3171
- DTXSID
DTXSID80860306- ChEMBL
CHEMBL1593851- EC Number
- 803-796-5
- Nikkaji
- J2.543.689J
Properties
Computed structural properties
- XLogP
- -3.2
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 235
Physicochemical properties
- Melting point
- 219 · 219-221 °C
- Boiling point
- 549.8 · 549.8±50.0 °C(Predicted)
- Density
- 1.608 · 1.608±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- solubility
- 0.1 M · 0.1 M HCl: soluble (Solutions should be freshly prepared.)
- form
- powder
- pka
- 2.09 · 2.09±0.24(Predicted)
- color
- white to brown
- InChI
- 1S/C9H11NO5/c10-7(9(14)15)8(13)4-1-2-5(11)6(12)3-4/h1-3,7-8,11-13H,10H2,(H,14,15)/t7-,8/m0/s1
- InChIKey
- QXWYKJLNLSIPIN-JAMMHHFISA-N
- SMILES
- N[C@@H](C(O)c1cc(c(cc1)O)O)C(=O)O
- UNSPSC Code
- 12352209 · 12352209
- NACRES
- 32 · NA.32
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
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]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Usesβ,3-Dihydroxytyrosine is an amino acid derivative[1].
Suppliers3 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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