Back to Search
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
Names and Synonyms:
2′,3′,5′-Tri-O-Acetyluridine
Uridine, 2′,3′,5′-triacetate
2′,3′,5′-Tri-O-acetyluridine
2′,3′,5′-Triacetyluridine
Tri-O-acetyl uridine
Uridine triacetate
PN 401
RG 2133
Vistonuridine
Xuriden
Triacetyluridine
Vistogard
Chembridge 5106522
Identifiers:
SMILES:
CC(=O)OC[C@H]1O[C@@H](n2ccc(O)nc2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O
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
Key Properties
Melting Point
130-132 °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 | 370.31 g/mol | CAS Common Chemistry |
| 370.31400000000014 g/mol | RDKit | |
| 370.10123015599993 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 |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 143.25000000000003 Ų | RDKit |
| LogP | -0.7271999999999996 | RDKit |
| Molar Refractivity | 81.81280000000002 | RDKit |
