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Molecule
Cytidine
CAS: 65-46-3 · C9H13N3O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 65-46-3
- Molecular Formula
- C9H13N3O5
- Molecular Mass
- 243.22 g/mol
Identifiers
CAS Registry Number
65-46-3
SMILES
N=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(O)n1
InChI Key
UHDGCWIWMRVCDJ-XVFCMESISA-N
InChI
InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1
Names and Synonyms
- Cytidine Synonym
- Cytidine Synonym
- Cytosine, 1-β-D-ribosyl- Synonym
- Cytosine riboside Synonym
- 1-β-D-Ribofuranosylcytosine Synonym
- β-D-Ribofuranoside, cytosine-1 Synonym
- 1-(β-D-Ribofuranosyl)-2-oxo-4-amino-1,2-dihydro-1,3-diazine Synonym
- 2(1H)-Pyrimidinone, 4-amino-1-β-D-ribofuranosyl- Synonym
- 4-Amino-1-β-D-ribofuranosyl-2(1H)-pyrimidinone Synonym
- NSC 20258 Synonym
- β-D-Cytidine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 243.22 g/mol | CAS Common Chemistry |
| 243.21900000000002 g/mol | RDKit | |
| 243.219 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Cytidine | CAS Common Chemistry |
| Canonical SMILES | O=C1N=C(N)C=CN1C2OC(CO)C(O)C2O | CAS Common Chemistry |
| InChI | InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=UHDGCWIWMRVCDJ-XVFCMESISA-N | CAS Common Chemistry |
| Melting Point | 230.5 °C (decomp) | CAS Common Chemistry |
| Name | Cytidine | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| 7 | RDKit | |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 131.82000000000002 Ų | RDKit |
| 131.82 Ų | RDKit | |
| 126.51 Ų | chempirical lib | |
| LogP | -2.32033 | RDKit |
| -2.3203 | RDKit | |
| Molar Refractivity | 52.755900000000025 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5556 | RDKit |
| 0.56 | chempirical lib | |
| Exact Mass | 243.085520516 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 = 243.22 g/mol. Edit any field — others recompute live.
