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5-Hydroxyuridine
CAS: 957-77-7 | C9H12N2O7
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
957-77-7
Molecular Formula:
C9H12N2O7
Molecular Mass:
260.20 g/mol
Names and Synonyms:
5-Hydroxyuridine
Uridine, 5-hydroxy-
Isobarbituric acid, 1-β-D-ribofuranosyl-
5-Hydroxyuridine
Identifiers:
SMILES:
O=c1nc(O)c(O)cn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChI:
InChI=1S/C9H12N2O7/c12-2-4-5(14)6(15)8(18-4)11-1-3(13)7(16)10-9(11)17/h1,4-6,8,12-15H,2H2,(H,10,16,17)/t4-,5-,6-,8-/m1/s1
Key Properties
Melting Point
242-245 °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 | 260.20 g/mol | CAS Common Chemistry |
| 260.202 g/mol | RDKit | |
| 260.06445072400004 g/mol | RDKit | |
| Canonical SMILES | O=C1NC(=O)N(C=C1O)C2OC(CO)C(O)C2O | CAS Common Chemistry |
| InChI | InChI=1S/C9H12N2O7/c12-2-4-5(14)6(15)8(18-4)11-1-3(13)7(16)10-9(11)17/h1,4-6,8,12-15H,2H2,(H,10,16,17)/t4-,5-,6-,8-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=QXDXBKZJFLRLCM-UAKXSSHOSA-N | CAS Common Chemistry |
| Melting Point | 242-245 °C | CAS Common Chemistry |
| Name | 5-Hydroxyuridine | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 9 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 145.27 Ų | RDKit |
| LogP | -2.7340000000000004 | RDKit |
| Molar Refractivity | 54.836000000000034 | RDKit |
