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Molecule
(+)-Ribonolactone
CAS: 5336-08-3 · C5H8O5
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 5336-08-3
- Molecular Formula
- C5H8O5
- Molecular Mass
- 148.11 g/mol
Identifiers
CAS Registry Number
5336-08-3
SMILES
O=C1O[C@H](CO)[C@@H](O)[C@H]1O
InChI Key
CUOKHACJLGPRHD-BXXZVTAOSA-N
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
Names and Synonyms
- (+)-Ribonolactone Synonym
- D-Ribonic acid, γ-lactone Synonym
- Ribonic acid, γ-lactone, D- Synonym
- D-Ribono-1,4-lactone Synonym
- D-Ribonolactone Synonym
- D-Ribono-γ-lactone Synonym
- D-Ribopentono-1,4-lactone Synonym
- D-(+)-Ribonic acid lactone Synonym
- Ribonic acid 1,4-lactone Synonym
- D-(+)-Ribonolactone Synonym
- (+)-Ribonolactone Synonym
- D-(+)-Ribonic acid γ-lactone Synonym
- NSC 1031 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 148.11 g/mol | CAS Common Chemistry |
| 148.114 g/mol | RDKit | |
| Canonical SMILES | O=C1OC(CO)C(O)C1O | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=CUOKHACJLGPRHD-BXXZVTAOSA-N | CAS Common Chemistry |
| Melting Point | 77 °C @ Solvent: Ethyl acetate | CAS Common Chemistry |
| Name | (+)-Ribonolactone | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 86.99000000000001 Ų | RDKit |
| 86.99 Ų | RDKit | |
| LogP | -2.3741000000000008 | RDKit |
| -2.3741 | RDKit | |
| Molar Refractivity | 28.97939999999999 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 148.037173356 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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5
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
External Resources
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MW = 148.11 g/mol. Edit any field — others recompute live.
