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Molecule
2′,3′,5′-Tri-O-Acetyluridine
CAS: 4105-38-8 · C15H18N2O9
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 4105-38-8
- Molecular Formula
- C15H18N2O9
- Molecular Mass
- 370.31 g/mol
Identifiers
CAS Registry Number
4105-38-8
SMILES
CC(=O)OC[C@H]1O[C@@H](n2ccc(O)nc2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O
InChI Key
AUFUWRKPQLGTGF-FMKGYKFTSA-N
InChI
InChI=1S/C15H18N2O9/c1-7(18)23-6-10-12(24-8(2)19)13(25-9(3)20)14(26-10)17-5-4-11(21)16-15(17)22/h4-5,10,12-14H,6H2,1-3H3,(H,16,21,22)/t10-,12-,13-,14-/m1/s1
Names and Synonyms
- 2′,3′,5′-Tri-O-Acetyluridine Systematic Name
- Uridine, 2′,3′,5′-triacetate Synonym
- 2′,3′,5′-Tri-O-acetyluridine Synonym
- 2′,3′,5′-Triacetyluridine Synonym
- Tri-O-acetyl uridine Synonym
- Uridine triacetate Synonym
- PN 401 Synonym
- RG 2133 Synonym
- Vistonuridine Synonym
- Xuriden Synonym
- Triacetyluridine Synonym
- Vistogard Synonym
- Chembridge 5106522 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 370.31 g/mol | CAS Common Chemistry |
| 370.31400000000014 g/mol | RDKit | |
| 370.314 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC1OC(N2C=CC(=O)NC2=O)C(OC(=O)C)C1OC(=O)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C15H18N2O9/c1-7(18)23-6-10-12(24-8(2)19)13(25-9(3)20)14(26-10)17-5-4-11(21)16-15(17)22/h4-5,10,12-14H,6H2,1-3H3,(H,16,21,22)/t10-,12-,13-,14-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=AUFUWRKPQLGTGF-FMKGYKFTSA-N | CAS Common Chemistry |
| Melting Point | 130-132 °C | CAS Common Chemistry |
| Name | 2′,3′,5′-Tri-O-acetyluridine | CAS Common Chemistry |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 11 | RDKit |
| 10 | RDKit | |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 143.25000000000003 Ų | RDKit |
| 143.25 Ų | RDKit | |
| 149.79 Ų | chempirical lib | |
| LogP | -0.7271999999999996 | RDKit |
| -0.7272 | RDKit | |
| Molar Refractivity | 81.81280000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5333 | RDKit |
| 0.53 | chempirical lib | |
| Exact Mass | 370.10123015599993 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
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MW = 370.31 g/mol. Edit any field — others recompute live.
