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Deoxyribose
CAS: 533-67-5 | C5H10O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
533-67-5
Molecular Formula:
C5H10O4
Molecular Mass:
134.13 g/mol
Names and Synonyms:
Deoxyribose
D-erythro-Pentose, 2-deoxy-
2-Deoxy-D-erythro-pentose
Thyminose
2-Deoxy-D-ribose
Deoxyribose
D-Ribose, 2-deoxy-
2-Deoxy-D-arabinose
D-(-)-2-Deoxyribose
(3S,4R)-3,4,5-Trihydroxypentanal
Identifiers:
SMILES:
O=CC[C@H](O)[C@H](O)CO
InChI:
InChI=1S/C5H10O4/c6-2-1-4(8)5(9)3-7/h2,4-5,7-9H,1,3H2/t4-,5+/m0/s1
Key Properties
Melting Point
91 °C
CAS Common Chemistry
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 | 134.13 g/mol | CAS Common Chemistry |
| 134.131 g/mol | RDKit | |
| 134.0579088 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Deoxyribose | CAS Common Chemistry |
| Canonical SMILES | O=CCC(O)C(O)CO | CAS Common Chemistry |
| InChI | InChI=1S/C5H10O4/c6-2-1-4(8)5(9)3-7/h2,4-5,7-9H,1,3H2/t4-,5+/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=ASJSAQIRZKANQN-CRCLSJGQSA-N | CAS Common Chemistry |
| Melting Point | 91 °C | CAS Common Chemistry |
| Name | Deoxyribose | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 77.76 Ų | RDKit |
| LogP | -1.7105 | RDKit |
| Molar Refractivity | 29.780399999999986 | RDKit |
