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Β-D-Ribofuranose, 1,2,3,5-Tetraacetate
CAS: 13035-61-5 | C13H18O9
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13035-61-5
Molecular Formula:
C13H18O9
Molecular Mass:
318.28 g/mol
Names and Synonyms:
Β-D-Ribofuranose, 1,2,3,5-Tetraacetate
β-D-Ribofuranose, 1,2,3,5-tetraacetate
Ribofuranose, tetraacetate, β-D-
β-D-Ribofuranose, tetraacetate
1,2,3,5-Tetra-O-acetyl-β-D-ribofuranose
Tetra-O-acetyl-β-D-ribofuranose
Tetraacetyl-β-D-ribofuranose
1,2,3,5-Tetra-O-acetyl-β-D-ribose
1,2,3,5-Tetraacetyl-β-D-ribofuranose
1β-D-Tetraacetylribose
NSC 18738
β-Ribofuranose-1,2,3,5-tetraacetate
1′,2′,3′,5′-Tetra-O-acetyl-β-D-ribofuranose
Identifiers:
SMILES:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O
InChI:
InChI=1S/C13H18O9/c1-6(14)18-5-10-11(19-7(2)15)12(20-8(3)16)13(22-10)21-9(4)17/h10-13H,5H2,1-4H3/t10-,11-,12-,13-/m1/s1
Key Properties
Boiling Point
0.105 °C (approx) @ Press: 1 x 10-3 Torr
CAS Common Chemistry
Melting Point
82 °C @ Solvent: Methanol, Water
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 | 318.28 g/mol | CAS Common Chemistry |
| 318.2780000000001 g/mol | RDKit | |
| 318.095082156 g/mol | RDKit | |
| Boiling Point | 0.105 °C (approx) @ Press: 1 x 10-3 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(OCC1OC(OC(=O)C)C(OC(=O)C)C1OC(=O)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C13H18O9/c1-6(14)18-5-10-11(19-7(2)15)12(20-8(3)16)13(22-10)21-9(4)17/h10-13H,5H2,1-4H3/t10-,11-,12-,13-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=IHNHAHWGVLXCCI-FDYHWXHSSA-N | CAS Common Chemistry |
| Melting Point | 82 °C @ Solvent: Methanol, Water | CAS Common Chemistry |
| Name | β-D-Ribofuranose, 1,2,3,5-tetraacetate | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 9 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 114.43 Ų | RDKit |
| LogP | -0.2990999999999997 | RDKit |
| Molar Refractivity | 68.16800000000003 | RDKit |
