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24008-77-3 molecular structure
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(2R)-2-amino-3-(2-hydroxyphenyl)propanoic acid

ChemBase ID: 179367
Molecular Formular: C9H11NO3
Molecular Mass: 181.18854
Monoisotopic Mass: 181.07389322
SMILES and InChIs

SMILES:
c1cccc(c1C[C@@H](N)C(=O)O)O
Canonical SMILES:
OC(=O)[C@@H](Cc1ccccc1O)N
InChI:
InChI=1S/C9H11NO3/c10-7(9(12)13)5-6-3-1-2-4-8(6)11/h1-4,7,11H,5,10H2,(H,12,13)/t7-/m1/s1
InChIKey:
WRFPVMFCRNYQNR-SSDOTTSWSA-N

Cite this record

CBID:179367 http://www.chembase.cn/molecule-179367.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R)-2-amino-3-(2-hydroxyphenyl)propanoic acid
IUPAC Traditional name
(2R)-2-amino-3-(2-hydroxyphenyl)propanoic acid
Synonyms
2-Hydroxy-D-phenylalanine
(+)-o-Tyrosine
D-o-Hydroxyphenylalanine
D-o-Tyrosine
CAS Number
24008-77-3
PubChem SID
164235277
PubChem CID
6950576

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC T899985 external link Add to cart
PubChem 6950576 external link
Data Source Data ID Price
TRC
T899985 external link Add to cart Please log in.
Data Source Data ID
PubChem 6950576 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.0057738  H Acceptors
H Donor LogD (pH = 5.5) -1.4882036 
LogD (pH = 7.4) -1.501613  Log P -1.4883343 
Molar Refractivity 47.0972 cm3 Polarizability 18.512674 Å3
Polar Surface Area 83.55 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
DMSO expand Show data source
Apperance
Off-White Solid expand Show data source
Melting Point
>238°C (dec.) expand Show data source
Storage Condition
Refrigerator expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - T899985 external link
A metabolite of Phenylalanine (P319415).

REFERENCES

REFERENCES

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  • • Baynes, J., et al.: Diabetes, 40, 405 (1991)
  • • Fu, S., et al.: J. Biol .Chem., 273, 28603 (1991)
  • • Magsino, C., et al.: Metabolism, 49, 799 (1991)
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PATENTS

PATENTS

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INTERNET

INTERNET

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