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Molecule
Deoxycytidine Monophosphate
CAS: 1032-65-1 · C9H14N3O7P
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1032-65-1
- Molecular Formula
- C9H14N3O7P
- Molecular Mass
- 307.20 g/mol
Identifiers
CAS Registry Number
1032-65-1
SMILES
N=c1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(O)n1
InChI Key
NCMVOABPESMRCP-SHYZEUOFSA-N
InChI
InChI=1S/C9H14N3O7P/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
Names and Synonyms
- Deoxycytidine Monophosphate Synonym
- 5′-Cytidylic acid, 2′-deoxy- Synonym
- Cytidine, 2′-deoxy-, 5′-(dihydrogen phosphate) Synonym
- Cytidine, 2′-deoxy-, 5′-phosphate Synonym
- Cytidine, 2′-deoxy-, phosphate Synonym
- 2′-Deoxy-5′-cytidylic acid Synonym
- Deoxycytidine-5′-monophosphate Synonym
- 2′-Deoxycytidine 5′-phosphate Synonym
- 2′-Deoxycytidylic acid Synonym
- dCMP Synonym
- Deoxycytidine monophosphate Synonym
- Deoxy-CMP Synonym
- Deoxycytidine 5′-phosphate Synonym
- 2′-Deoxycytidine-5′-monophosphate Synonym
- 5′-Deoxycytidylic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 307.20 g/mol | CAS Common Chemistry |
| 307.199 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Deoxycytidine_monophosphate | CAS Common Chemistry |
| Canonical SMILES | O=C1N=C(N)C=CN1C2OC(COP(=O)(O)O)C(O)C2 | CAS Common Chemistry |
| InChI | InChI=1S/C9H14N3O7P/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=NCMVOABPESMRCP-SHYZEUOFSA-N | CAS Common Chemistry |
| Melting Point | 183-184 °C (decomp) | CAS Common Chemistry |
| Name | 2′-Deoxycytidine-5′-monophosphate | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| 7 | RDKit | |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 158.12 Ų | RDKit |
| 166.4 Ų | chempirical lib | |
| LogP | -1.1741300000000003 | RDKit |
| -1.1741 | RDKit | |
| Molar Refractivity | 62.27640000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5556 | RDKit |
| 0.56 | chempirical lib | |
| Exact Mass | 307.056936418 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 = 307.20 g/mol. Edit any field — others recompute live.
