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2-Deoxy-D-Ribono-1,4-Lactone
CAS: 34371-14-7 | C5H8O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
34371-14-7
Molecular Formula:
C5H8O4
Molecular Mass:
132.11 g/mol
Names and Synonyms:
2-Deoxy-D-Ribono-1,4-Lactone
D-erythro-Pentonic acid, 2-deoxy-, γ-lactone
2-Deoxy-D-erythro-pentono-γ-lactone
2-Deoxy-D-ribono-1,4-lactone
2-Deoxy-D-ribonolactone
2′-Deoxyribolactone
(4S,5R)-4-Hydroxy-5-hydroxymethylfuran-2-one
2-Deoxyribonolactone
Identifiers:
SMILES:
O=C1C[C@H](O)[C@@H](CO)O1
InChI:
InChI=1S/C5H8O4/c6-2-4-3(7)1-5(8)9-4/h3-4,6-7H,1-2H2/t3-,4+/m0/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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 132.11 g/mol | CAS Common Chemistry |
| 132.11499999999998 g/mol | RDKit | |
| 132.042258736 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 | RDKit |
