Back to Search
Inosine
CAS: 58-63-9 | C10H12N4O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
58-63-9
Molecular Formula:
C10H12N4O5
Molecular Mass:
268.23 g/mol
Names and Synonyms:
Inosine
Inosine
Hypoxanthine, 9-β-D-ribofuranosyl-
Hypoxanthine riboside
Hypoxanthosine
9-β-D-Ribofuranosylhypoxanthine
Hypoxanthine ribonucleoside
Hypoxanthine 9-β-D-ribofuranoside
Atorel
HXR
Oxiamin
Panholic-L
Ribonosine
Selfer
Trophicardyl
Ino
Inosie
1,9-Dihydro-9-β-D-ribofuranosyl-6H-purin-6-one
6H-Purin-6-one, 1,9-dihydro-9-β-D-ribofuranosyl-
NSC 20262
Identifiers:
SMILES:
OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O
InChI:
InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1
Key Properties
Melting Point
218 °C (decomp)
CAS Common Chemistry
Density
1.61 g/cm³
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 | 268.23 g/mol | CAS Common Chemistry |
| 268.22900000000004 g/mol | RDKit | |
| 268.08076948400003 g/mol | RDKit | |
| Density | 1.61 g/cm³ | CAS Common Chemistry |
| 1.613 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | O=C1N=CNC2=C1N=CN2C3OC(CO)C(O)C3O | CAS Common Chemistry |
| InChI | InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=UGQMRVRMYYASKQ-KQYNXXCUSA-N | CAS Common Chemistry |
| Melting Point | 218 °C (decomp) | CAS Common Chemistry |
| Name | Inosine | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 9 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 133.75 Ų | RDKit |
| LogP | -1.8566000000000003 | RDKit |
| Molar Refractivity | 59.997200000000035 | RDKit |
