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N4-Acetylcytidine
CAS: 3768-18-1 | C11H15N3O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3768-18-1
Molecular Formula:
C11H15N3O6
Molecular Mass:
285.26 g/mol
Names and Synonyms:
N4-Acetylcytidine
Cytidine, N-acetyl-
Acetamide, N-(1,2-dihydro-2-oxo-1-β-D-ribofuranosyl-4-pyrimidinyl)-
N-Acetylcytidine
N4-Acetylcytidine
4-Acetylcytidine
N4-Acetylcytidine
Identifiers:
SMILES:
CC(O)=Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1
InChI:
InChI=1S/C11H15N3O6/c1-5(16)12-7-2-3-14(11(19)13-7)10-9(18)8(17)6(4-15)20-10/h2-3,6,8-10,15,17-18H,4H2,1H3,(H,12,13,16,19)/t6-,8-,9-,10-/m1/s1
Key Properties
Melting Point
208-209 °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 | 285.26 g/mol | CAS Common Chemistry |
| 285.25600000000003 g/mol | RDKit | |
| 285.09608520000006 g/mol | RDKit | |
| Canonical SMILES | O=C1N=C(C=CN1C2OC(CO)C(O)C2O)NC(=O)C | CAS Common Chemistry |
| InChI | InChI=1S/C11H15N3O6/c1-5(16)12-7-2-3-14(11(19)13-7)10-9(18)8(17)6(4-15)20-10/h2-3,6,8-10,15,17-18H,4H2,1H3,(H,12,13,16,19)/t6-,8-,9-,10-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=NIDVTARKFBZMOT-PEBGCTIMSA-N | CAS Common Chemistry |
| Melting Point | 208-209 °C | CAS Common Chemistry |
| Name | N4-Acetylcytidine | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 137.40000000000003 Ų | RDKit |
| LogP | -1.5372999999999997 | RDKit |
| Molar Refractivity | 66.90420000000002 | RDKit |
