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Cis-4-Hydroxy-D-Proline
CAS: 2584-71-6 | C5H9NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2584-71-6
- Molecular Formula
- C5H9NO3
- Molecular Mass
- 131.13 g/mol
Identifiers
CAS Registry Number
2584-71-6
SMILES
O=C(O)[C@H]1C[C@@H](O)CN1
InChI Key
PMMYEEVYMWASQN-QWWZWVQMSA-N
InChI
InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4-/m1/s1
Names and Synonyms
- Cis-4-Hydroxy-D-Proline Synonym
- D-Proline, 4-hydroxy-, (4R)- Synonym
- Proline, 4-allo-hydroxy-, D- Synonym
- D-Proline, 4-hydroxy-, cis- Synonym
- (4R)-4-Hydroxy-D-proline Synonym
- 4-allo-Hydroxy-D-proline Synonym
- D-allo-Hydroxyproline Synonym
- 4-Hydroxy-D-alloproline Synonym
- D-allo-4-Hydroxyproline Synonym
- (R)-allo-Hydroxyproline Synonym
- D-cis-4-Hydroxyproline Synonym
- cis-4-Hydroxy-D-proline Synonym
- NSC 524341 Synonym
- (2R,4R)-4-Hydroxypyrrolidine-2-carboxylic acid Synonym
- 4-(R)-Hydroxypyrrolidine-2-(R)-carboxylic acid Synonym
- (2R,4R)-4-Hydroxypyrrolidine-2-carboxylic acid Synonym
- (2R,4R)-4-Hydroxyproline Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 131.13 g/mol | CAS Common Chemistry |
| 131.131 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C1NCC(O)C1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=PMMYEEVYMWASQN-QWWZWVQMSA-N | CAS Common Chemistry |
| Melting Point | 240 °C | CAS Common Chemistry |
| Name | cis-4-Hydroxy-D-proline | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 69.56 Ų | RDKit |
| LogP | -1.2062 | RDKit |
| Molar Refractivity | 30.050299999999993 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 131.058243148 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
Related
Related molecules
Other compounds with formula C5H9NO3.
