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Molecule
2′-C-Methylguanosine
CAS: 374750-30-8 · C11H15N5O5
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 374750-30-8
- Molecular Formula
- C11H15N5O5
- Molecular Mass
- 297.27 g/mol
Identifiers
CAS Registry Number
374750-30-8
SMILES
C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(O)nc(=N)[nH]c21
InChI Key
NVKAMPJSWMHVDK-GITKWUPZSA-N
InChI
InChI=1S/C11H15N5O5/c1-11(20)6(18)4(2-17)21-9(11)16-3-13-5-7(16)14-10(12)15-8(5)19/h3-4,6,9,17-18,20H,2H2,1H3,(H3,12,14,15,19)/t4-,6-,9-,11-/m1/s1
Names and Synonyms
- 2′-C-Methylguanosine Systematic Name
- Guanosine, 2′-C-methyl- Synonym
- 2′-C-Methylguanosine Synonym
- INZ 08032 Synonym
- INX 08032 Synonym
- 2′-C-Methylguanosine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 297.27 g/mol | CAS Common Chemistry |
| 297.271 g/mol | RDKit | |
| 298.279 g/mol | chempirical lib | |
| Canonical SMILES | O=C1N=C(N)NC2=C1N=CN2C3OC(CO)C(O)C3(O)C | CAS Common Chemistry |
| InChI | InChI=1S/C11H15N5O5/c1-11(20)6(18)4(2-17)21-9(11)16-3-13-5-7(16)14-10(12)15-8(5)19/h3-4,6,9,17-18,20H,2H2,1H3,(H3,12,14,15,19)/t4-,6-,9-,11-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=NVKAMPJSWMHVDK-GITKWUPZSA-N | CAS Common Chemistry |
| Name | 2′-C-Methylguanosine | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 9 | RDKit |
| 8 | RDKit | |
| Hydrogen Bond Donors | 6 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 160.5 Ų | RDKit |
| 150.87 Ų | chempirical lib | |
| LogP | -2.0539300000000007 | RDKit |
| -2.0539 | RDKit | |
| Molar Refractivity | 67.02460000000002 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5455 | RDKit |
| Exact Mass | 297.10731858 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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5
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
