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Uridine Monophosphate
CAS: 58-97-9 | C9H13N2O9P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
58-97-9
Molecular Formula:
C9H13N2O9P
Molecular Mass:
324.18 g/mol
Names and Synonyms:
Uridine Monophosphate
5′-Uridylic acid
Uridylic acid
UMP
5′-UMP
Uridine 5′-monophosphate
Uridine monophosphate
Uridine 5′-phosphate
Uridine 5′-phosphoric acid
Uridine, mono(dihydrogen phosphate) (ester)
Uridine, 5′-(dihydrogen phosphate)
Uridine phosphate
Uridine 5′-(dihydrogen phosphate)
UMP (nucleic acid)
Identifiers:
SMILES:
O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O
InChI:
InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
Key Properties
Melting Point
202 °C (decomp)
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 | 324.18 g/mol | CAS Common Chemistry |
| 324.18199999999996 g/mol | RDKit | |
| 324.03586662600003 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Uridine_monophosphate | CAS Common Chemistry |
| Canonical SMILES | O=C1C=CN(C(=O)N1)C2OC(COP(=O)(O)O)C(O)C2O | CAS Common Chemistry |
| InChI | InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=DJJCXFVJDGTHFX-XVFCMESISA-N | CAS Common Chemistry |
| Melting Point | 202 °C (decomp) | CAS Common Chemistry |
| Name | 5′-UMP | CAS Common Chemistry |
| Uridine monophosphate | CAS Common Chemistry | |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 9 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 171.57 Ų | RDKit |
| LogP | -2.322600000000001 | RDKit |
| Molar Refractivity | 64.08150000000003 | RDKit |
