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Molecule
3′-O-Methylguanosine
CAS: 10300-27-3 · C11H15N5O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 10300-27-3
- Molecular Formula
- C11H15N5O5
- Molecular Mass
- 297.27 g/mol
Identifiers
CAS Registry Number
10300-27-3
SMILES
CO[C@H]1[C@@H](O)[C@H](n2cnc3c(O)nc(=N)[nH]c32)O[C@@H]1CO
InChI Key
UYARPHAXAJAZLU-KQYNXXCUSA-N
InChI
InChI=1S/C11H15N5O5/c1-20-7-4(2-17)21-10(6(7)18)16-3-13-5-8(16)14-11(12)15-9(5)19/h3-4,6-7,10,17-18H,2H2,1H3,(H3,12,14,15,19)/t4-,6-,7-,10-/m1/s1
Names and Synonyms
- 3′-O-Methylguanosine Synonym
- Guanosine, 3′-O-methyl- Synonym
- 3′-O-Methylguanosine Synonym
- NSC 106541 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 297.27 g/mol | CAS Common Chemistry |
| 297.2710000000001 g/mol | RDKit | |
| 297.271 g/mol | RDKit | |
| 298.279 g/mol | chempirical lib | |
| Canonical SMILES | O=C1N=C(N)NC2=C1N=CN2C3OC(CO)C(OC)C3O | CAS Common Chemistry |
| InChI | InChI=1S/C11H15N5O5/c1-20-7-4(2-17)21-10(6(7)18)16-3-13-5-8(16)14-11(12)15-9(5)19/h3-4,6-7,10,17-18H,2H2,1H3,(H3,12,14,15,19)/t4-,6-,7-,10-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=UYARPHAXAJAZLU-KQYNXXCUSA-N | CAS Common Chemistry |
| Melting Point | 263-300 °C (decomp) | CAS Common Chemistry |
| Name | 3′-O-Methylguanosine | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 9 | RDKit |
| 8 | RDKit | |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 149.49999999999997 Ų | RDKit |
| 149.5 Ų | RDKit | |
| 139.87 Ų | chempirical lib | |
| LogP | -1.789929999999999 | RDKit |
| -1.7899 | RDKit | |
| Molar Refractivity | 67.19780000000002 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5455 | RDKit |
| Exact Mass | 297.10731857999997 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 = 297.27 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H15N5O5.
