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(+)-Ribonolactone
CAS: 5336-08-3 | C5H8O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5336-08-3
Molecular Formula:
C5H8O5
Molecular Weight:
148.114 g/mol
Names and Synonyms:
(+)-Ribonolactone
D-Ribonic acid, γ-lactone
Ribonic acid, γ-lactone, D-
D-Ribono-1,4-lactone
D-Ribonolactone
D-Ribono-γ-lactone
D-Ribopentono-1,4-lactone
D-(+)-Ribonic acid lactone
Ribonic acid 1,4-lactone
D-(+)-Ribonolactone
(+)-Ribonolactone
D-(+)-Ribonic acid γ-lactone
NSC 1031
Identifiers:
SMILES:
O=C1O[C@H](CO)[C@@H](O)[C@H]1O
InChI:
InChI=1S/C5H8O5/c6-1-2-3(7)4(8)5(9)10-2/h2-4,6-8H,1H2/t2-,3-,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 | 148.114 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 148.037173356 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 5 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 | 86.99000000000001 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -2.3741000000000008 | RDKit |
| molecular_mass | 148.11 g/mol | Legacy Database |
| cas-canonical-smile | O=C1OC(CO)C(O)C1O None | Legacy Database |
| cas-inchi | InChI=1S/C5H8O5/c6-1-2-3(7)4(8)5(9)10-2/h2-4,6-8H,1H2/t2-,3-,4-/m1/s1 None | Legacy Database |
| cas-inchi-key | InChIKey=CUOKHACJLGPRHD-BXXZVTAOSA-N None | Legacy Database |
| cas-melting-point | 77 °C @ Solvent: Ethyl acetate None | Legacy Database |
| cas-name | (+)-Ribonolactone None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 28.97939999999999 | RDKit |
