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Molecule
2-Deoxy-D-Ribono-1,4-Lactone
CAS: 34371-14-7 · C5H8O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 34371-14-7
- Molecular Formula
- C5H8O4
- Molecular Mass
- 132.11 g/mol
Identifiers
CAS Registry Number
34371-14-7
SMILES
O=C1C[C@H](O)[C@@H](CO)O1
InChI Key
YIXDEYPPAGPYDP-IUYQGCFVSA-N
InChI
InChI=1S/C5H8O4/c6-2-4-3(7)1-5(8)9-4/h3-4,6-7H,1-2H2/t3-,4+/m0/s1
Names and Synonyms
- 2-Deoxy-D-Ribono-1,4-Lactone Synonym
- D-erythro-Pentonic acid, 2-deoxy-, γ-lactone Synonym
- 2-Deoxy-D-erythro-pentono-γ-lactone Synonym
- 2-Deoxy-D-ribono-1,4-lactone Synonym
- 2-Deoxy-D-ribonolactone Synonym
- 2′-Deoxyribolactone Synonym
- (4S,5R)-4-Hydroxy-5-hydroxymethylfuran-2-one Synonym
- 2-Deoxyribonolactone Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 132.11 g/mol | CAS Common Chemistry |
| 132.11499999999998 g/mol | RDKit | |
| 132.115 g/mol | RDKit | |
| Canonical SMILES | O=C1OC(CO)C(O)C1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H8O4/c6-2-4-3(7)1-5(8)9-4/h3-4,6-7H,1-2H2/t3-,4+/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=YIXDEYPPAGPYDP-IUYQGCFVSA-N | CAS Common Chemistry |
| Name | 2-Deoxy-D-ribono-1,4-lactone | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 66.76 Ų | RDKit |
| LogP | -1.3449 | RDKit |
| Molar Refractivity | 27.58959999999999 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 132.042258736 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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4
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2
1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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
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MW = 132.11 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H8O4.
