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Molecule
Cytidine Monophosphate
CAS: 63-37-6 · C9H14N3O8P
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 63-37-6
- Molecular Formula
- C9H14N3O8P
- Molecular Mass
- 323.20 g/mol
Identifiers
CAS Registry Number
63-37-6
SMILES
N=c1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1
InChI Key
IERHLVCPSMICTF-XVFCMESISA-N
InChI
InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
Names and Synonyms
- Cytidine Monophosphate Common Name
- 5′-Cytidylic acid Synonym
- 5′-CMP Synonym
- CMP Synonym
- Cytidine monophosphate Synonym
- Cytidine 5′-monophosphate Synonym
- Cytidine 5′-phosphate Synonym
- Cytidine 5′-phosphoric acid Synonym
- Cytidylic acid Synonym
- Cytidine, mono(dihydrogen phosphate) (ester) Synonym
- Cytidine 5′-monophosphoric acid Synonym
- Cytidine 5′-(dihydrogen phosphate) Synonym
- CMP (nucleotide) Synonym
- Cytosine 5′-monophosphate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 323.20 g/mol | CAS Common Chemistry |
| 323.19800000000004 g/mol | RDKit | |
| 323.198 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Cytidine_monophosphate | CAS Common Chemistry |
| Canonical SMILES | O=C1N=C(N)C=CN1C2OC(COP(=O)(O)O)C(O)C2O | CAS Common Chemistry |
| InChI | InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=IERHLVCPSMICTF-XVFCMESISA-N | CAS Common Chemistry |
| Melting Point | 225 °C | CAS Common Chemistry |
| Name | Cytidine 5′-monophosphate | CAS Common Chemistry |
| Cytidine monophosphate | CAS Common Chemistry | |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 9 | RDKit |
| 8 | RDKit | |
| Hydrogen Bond Donors | 6 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 178.35000000000002 Ų | RDKit |
| 178.35 Ų | RDKit | |
| 186.63 Ų | chempirical lib | |
| LogP | -2.2033300000000007 | RDKit |
| -2.2033 | RDKit | |
| Molar Refractivity | 63.66620000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5556 | RDKit |
| 0.56 | chempirical lib | |
| Exact Mass | 323.051851038 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 323.20 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H14N3O8P.
