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Deoxycytidine Monophosphate
CAS: 1032-65-1 | C9H14N3O7P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1032-65-1
Molecular Formula:
C9H14N3O7P
Molecular Mass:
307.20 g/mol
Names and Synonyms:
Deoxycytidine Monophosphate
5′-Cytidylic acid, 2′-deoxy-
Cytidine, 2′-deoxy-, 5′-(dihydrogen phosphate)
Cytidine, 2′-deoxy-, 5′-phosphate
Cytidine, 2′-deoxy-, phosphate
2′-Deoxy-5′-cytidylic acid
Deoxycytidine-5′-monophosphate
2′-Deoxycytidine 5′-phosphate
2′-Deoxycytidylic acid
dCMP
Deoxycytidine monophosphate
Deoxy-CMP
Deoxycytidine 5′-phosphate
2′-Deoxycytidine-5′-monophosphate
5′-Deoxycytidylic acid
Identifiers:
SMILES:
N=c1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(O)n1
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
Key Properties
Melting Point
183-184 °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 | 307.20 g/mol | CAS Common Chemistry |
| 307.199 g/mol | RDKit | |
| 307.056936418 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 |
| Deoxycytidine monophosphate | CAS Common Chemistry | |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 158.12 Ų | RDKit |
| LogP | -1.1741300000000003 | RDKit |
| Molar Refractivity | 62.27640000000003 | RDKit |
