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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 Weight:
131.131 g/mol
Names and Synonyms:
Cis-4-Hydroxy-D-Proline
D-Proline, 4-hydroxy-, (4R)-
Proline, 4-allo-hydroxy-, D-
D-Proline, 4-hydroxy-, cis-
(4R)-4-Hydroxy-D-proline
4-allo-Hydroxy-D-proline
D-allo-Hydroxyproline
4-Hydroxy-D-alloproline
D-allo-4-Hydroxyproline
(R)-allo-Hydroxyproline
D-cis-4-Hydroxyproline
cis-4-Hydroxy-D-proline
NSC 524341
(2R,4R)-4-Hydroxypyrrolidine-2-carboxylic acid
4-(R)-Hydroxypyrrolidine-2-(R)-carboxylic acid
(2R,4R)-4-Hydroxypyrrolidine-2-carboxylic acid
(2R,4R)-4-Hydroxyproline
Identifiers:
SMILES:
O=C(O)[C@H]1C[C@@H](O)CN1
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
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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 |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 131.131 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 131.058243148 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 3 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 69.56 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -1.2062 | RDKit |
| molecular_mass | 131.13 g/mol | Legacy Database |
| cas-canonical-smile | O=C(O)C1NCC(O)C1 None | Legacy Database |
| cas-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 None | Legacy Database |
| cas-inchi-key | InChIKey=PMMYEEVYMWASQN-QWWZWVQMSA-N None | Legacy Database |
| cas-melting-point | 240 °C None | Legacy Database |
| cas-name | cis-4-Hydroxy-D-proline None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 30.050299999999993 | RDKit |
