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Dideoxycytidine
CAS: 7481-89-2 | C9H13N3O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7481-89-2
Molecular Formula:
C9H13N3O3
Molecular Mass:
211.22 g/mol
Names and Synonyms:
Dideoxycytidine
Cytidine, 2′,3′-dideoxy-
2′,3′-Dideoxycytidine
NSC 606170
ddC
Dideoxycytidine
Ro 24-2027/000
Zalcitabine
D 2C
Hivid
Identifiers:
SMILES:
N=c1ccn([C@H]2CC[C@@H](CO)O2)c(O)n1
InChI:
InChI=1S/C9H13N3O3/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h3-4,6,8,13H,1-2,5H2,(H2,10,11,14)/t6-,8+/m0/s1
Key Properties
Melting Point
217-218 °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 | 211.22 g/mol | CAS Common Chemistry |
| 211.22099999999998 g/mol | RDKit | |
| 211.095691276 g/mol | RDKit | |
| Canonical SMILES | O=C1N=C(N)C=CN1C2OC(CO)CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C9H13N3O3/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h3-4,6,8,13H,1-2,5H2,(H2,10,11,14)/t6-,8+/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=WREGKURFCTUGRC-POYBYMJQSA-N | CAS Common Chemistry |
| Melting Point | 217-218 °C | CAS Common Chemistry |
| Name | Dideoxycytidine | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 91.36000000000001 Ų | RDKit |
| LogP | -0.26193000000000033 | RDKit |
| Molar Refractivity | 49.97630000000002 | RDKit |
