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2′-C-Methylguanosine
CAS: 374750-30-8 | C11H15N5O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
374750-30-8
Molecular Formula:
C11H15N5O5
Molecular Mass:
297.27 g/mol
Names and Synonyms:
2′-C-Methylguanosine
Guanosine, 2′-C-methyl-
2′-C-Methylguanosine
INZ 08032
INX 08032
2′-C-Methylguanosine
Identifiers:
SMILES:
C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(O)nc(=N)[nH]c21
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
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 | 297.27 g/mol | CAS Common Chemistry |
| 297.271 g/mol | RDKit | |
| 297.10731858 g/mol | RDKit | |
| 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 |
| Hydrogen Bond Donors | 6 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 160.5 Ų | RDKit |
| LogP | -2.0539300000000007 | RDKit |
| Molar Refractivity | 67.02460000000002 | RDKit |
