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Molecule
Uridine Monophosphate
CAS: 58-97-9 · C9H13N2O9P
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 58-97-9
- Molecular Formula
- C9H13N2O9P
- Molecular Mass
- 324.18 g/mol
Identifiers
CAS Registry Number
58-97-9
SMILES
O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O
InChI Key
DJJCXFVJDGTHFX-XVFCMESISA-N
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
Names and Synonyms
- Uridine Monophosphate Common Name
- 5′-Uridylic acid Synonym
- Uridylic acid Synonym
- UMP Synonym
- 5′-UMP Synonym
- Uridine 5′-monophosphate Synonym
- Uridine monophosphate Synonym
- Uridine 5′-phosphate Synonym
- Uridine 5′-phosphoric acid Synonym
- Uridine, mono(dihydrogen phosphate) (ester) Synonym
- Uridine, 5′-(dihydrogen phosphate) Synonym
- Uridine phosphate Synonym
- Uridine 5′-(dihydrogen phosphate) Synonym
- UMP (nucleic acid) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 324.18 g/mol | CAS Common Chemistry |
| 324.18199999999996 g/mol | RDKit | |
| 324.182 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 |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 9 | RDKit |
| 8 | 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 |
| -2.3226 | RDKit | |
| Molar Refractivity | 64.08150000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5556 | RDKit |
| 0.56 | chempirical lib | |
| Exact Mass | 324.03586662600003 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
External Resources
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MW = 324.18 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H13N2O9P.
