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N4-Hydroxycytidine
CAS: 3258-02-4 | C9H13N3O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3258-02-4
Molecular Formula:
C9H13N3O6
Molecular Mass:
259.22 g/mol
Names and Synonyms:
N4-Hydroxycytidine
Uridine, 4-oxime
Cytidine, N-hydroxy-
N4-Hydroxycytidine
N-Hydroxycytidine
EIDD 1931
NHC
Identifiers:
SMILES:
O=c1nc(NO)ccn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChI:
InChI=1S/C9H13N3O6/c13-3-4-6(14)7(15)8(18-4)12-2-1-5(11-17)10-9(12)16/h1-2,4,6-8,13-15,17H,3H2,(H,10,11,16)/t4-,6-,7-,8-/m1/s1
Key Properties
Melting Point
169-172 °C @ Solvent: Methanol
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 | 259.22 g/mol | CAS Common Chemistry |
| 259.21799999999996 g/mol | RDKit | |
| 259.080435136 g/mol | RDKit | |
| Canonical SMILES | O=C1NC(=NO)C=CN1C2OC(CO)C(O)C2O | CAS Common Chemistry |
| InChI | InChI=1S/C9H13N3O6/c13-3-4-6(14)7(15)8(18-4)12-2-1-5(11-17)10-9(12)16/h1-2,4,6-8,13-15,17H,3H2,(H,10,11,16)/t4-,6-,7-,8-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=XCUAIINAJCDIPM-XVFCMESISA-N | CAS Common Chemistry |
| Melting Point | 169-172 °C @ Solvent: Methanol | CAS Common Chemistry |
| Name | N4-Hydroxycytidine | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 9 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 137.07000000000002 Ų | RDKit |
| LogP | -2.3440999999999987 | RDKit |
| Molar Refractivity | 56.915600000000026 | RDKit |
