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TRANS-3-HYDROXY-L-PROLINE
- Iupac Name：(2S,3S)-3-hydroxypyrrolidine-2-carboxylic acid
- CAS No.: 4298-08-2
- Molecular Weight：131.131
- Modify Date.: 2022-11-02 13:55
- Introduction:
TRANS-3-HYDROXY-L-PROLINE, with the chemical formula C5H9NO3 and CAS registry number 4298-08-2, is a compound known for its role as a non-proteinogenic amino acid. This compound is a derivative of proline and is characterized by the presence of a hydroxyl group attached to the third carbon atom. TRANS-3-HYDROXY-L-PROLINE is commonly found in collagen, a major component of connective tissues in animals. It plays a crucial role in stabilizing the collagen structure and is involved in various biological processes, including wound healing and tissue repair. Additionally, TRANS-3-HYDROXY-L-PROLINE has been studied for its potential therapeutic applications, such as its anti-inflammatory and antioxidant properties. Further research is being conducted to explore its potential in drug development and medical treatments.
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1. Names and Identifiers
- 1.1 Name
- TRANS-3-HYDROXY-L-PROLINE
- 1.2 Synonyms
(2S,3S)-(-)-3-Hydroxy-L-proline (2S,3S)-3-Hydroxyproline (2S,3S)-3-HYDROXYPYRROLIDINE-2-CARBOXYLIC ACID (3S)-3-Hydroxy-L-proline H-3-HYP-OH H-HYP(3)-OH H-PRO(3-HYDROXY)-OH L-3-HYDROXYPROLINE L-3-TRANS-HYDROXYPROLINE L-Proline, 3-hydroxy-, (3S)- L-Proline, 3-hydroxy-, trans- Proline, 3-hydroxy-, L-trans- trans-3-Hydroxy-prolin trans-3-Hydroxyproline
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- 1.3 CAS No.
- 4298-08-2
- 1.4 CID
- 440575
- 1.5 Molecular Formula
- C5H9NO3 (isomer)
- 1.6 Inchi
- InChI=1S/C5H9NO3/c7-3-1-2-6-4(3)5(8)9/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4-/m0/s1
- 1.7 InChIkey
- BJBUEDPLEOHJGE-IMJSIDKUSA-N
- 1.8 Canonical Smiles
- C1CNC(C1O)C(=O)O
- 1.9 Isomers Smiles
- C1CN[C@@H]([C@H]1O)C(=O)O
2. Properties
- 2.1 Density
- 1.395
- 2.1 Melting point
- 235 °C
- 2.1 Boiling point
- 355.2°Cat760mmHg
- 2.1 Refractive index
- 1.54
- 2.1 Flash Point
- 168.6°C
- 2.1 Precise Quality
- 131.05800
- 2.1 PSA
- 69.56000
- 2.1 logP
- -0.87740
- 2.1 Appearance
- White to light beige powder
- 2.2 Chemical Properties
- White to light beige powder TRANS-3-HYDROXY-L-PROLINESupplier
- 2.3 Physical
- Solid
- 2.4 pKa
- 2.03±0.40(Predicted)
3. Safety and Handling
- 3.1 Safety Statements
- S22;S24/25
- 3.1 WGK Germany
- 3
4. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
no data available
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | no data available |
| Signal word | no data available |
| Hazard statement(s) | no data available |
| Precautionary statement(s) | |
| Prevention | no data available |
| Response | no data available |
| Storage | no data available |
| Disposal | no data available |
2.3 Other hazards which do not result in classification
no data available
6. Synthesis Route
4298-08-2Total: 14 Synthesis Route
8. Other Information
- 8.0 Chemical Properties
- White to light beige powder
9. Computational chemical data
- Molecular Weight: 131.131g/mol
- Molecular Formula: C5H9NO3
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 131.058243149
- Monoisotopic Mass: 131.058243149
- Complexity: 125
- Rotatable Bond Count: 1
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Topological Polar Surface Area: 69.6
- Heavy Atom Count: 9
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADccBiMAAAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAAAAAAAHgAQCAAACDzhgAYACALAAgAIAACQCAAAAAAAAAAAAIGIAAACEBYAgCAEQAAHMACQAACYEQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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11. Realated Product Infomation
2YRS
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