Back to Search
Deoxycytidine
CAS: 951-77-9 | C9H13N3O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
951-77-9
Molecular Formula:
C9H13N3O4
Molecular Mass:
227.22 g/mol
Names and Synonyms:
Deoxycytidine
Cytidine, 2′-deoxy-
Cytidine, deoxy-
2′-Deoxycytidine
Cytosine deoxyribonucleoside
Cytosine deoxyriboside
Deoxycytidine
Deoxyribose cytidine
2(1H)-Pyrimidinone, 4-amino-1-(2-deoxy-β-D-erythro-pentofuranosyl)-
4-Amino-1-(2-deoxy-β-D-erythro-pentofuranosyl)-2(1H)-pyrimidinone
1-(2-Deoxy-β-D-ribofuranosyl)cytosine
Identifiers:
SMILES:
N=c1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(O)n1
InChI:
InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m0/s1
Key Properties
Melting Point
201-203 °C
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 | 227.22 g/mol | CAS Common Chemistry |
| 227.21999999999997 g/mol | RDKit | |
| 227.090605896 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Deoxycytidine | CAS Common Chemistry |
| Canonical SMILES | O=C1N=C(N)C=CN1C2OC(CO)C(O)C2 | CAS Common Chemistry |
| InChI | InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=CKTSBUTUHBMZGZ-SHYZEUOFSA-N | CAS Common Chemistry |
| Melting Point | 201-203 °C | CAS Common Chemistry |
| Name | Deoxycytidine | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 111.59000000000002 Ų | RDKit |
| LogP | -1.29113 | RDKit |
| Molar Refractivity | 51.366100000000024 | RDKit |
