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N6-Methyladenosine
CAS: 1867-73-8 | C11H15N5O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1867-73-8
Molecular Formula:
C11H15N5O4
Molecular Mass:
281.27 g/mol
Names and Synonyms:
N6-Methyladenosine
Adenosine, N-methyl-
N-Methyladenosine
N6-Methyladenosine
6-Methyladenosine
6-Methylaminopurine riboside
6-Methylamino-9-β-D-ribofuranosylpurine
6-Methylaminopurine ribonucleoside
NSC 29409
6-Methylaminopurine D-riboside
9-β-D-Ribofuranosyl-N6-methylaminopurine
2-(Hydroxymethyl)-5-(6-methylaminopurin-9-yl)oxolane-3,4-diol
Identifiers:
SMILES:
CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChI:
InChI=1S/C11H15N5O4/c1-12-9-6-10(14-3-13-9)16(4-15-6)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11,17-19H,2H2,1H3,(H,12,13,14)/t5-,7-,8-,11-/m1/s1
Key Properties
Melting Point
172 °C
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 | 281.27 g/mol | CAS Common Chemistry |
| 281.272 g/mol | RDKit | |
| 281.11240396 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/N6-Methyladenosine | CAS Common Chemistry |
| Canonical SMILES | OCC1OC(N2C=NC=3C(=NC=NC32)NC)C(O)C1O | CAS Common Chemistry |
| InChI | InChI=1S/C11H15N5O4/c1-12-9-6-10(14-3-13-9)16(4-15-6)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11,17-19H,2H2,1H3,(H,12,13,14)/t5-,7-,8-,11-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=VQAYFKKCNSOZKM-IOSLPCCCSA-N | CAS Common Chemistry |
| Melting Point | 172 °C | CAS Common Chemistry |
| Name | N6-Methyladenosine | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 9 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 125.55000000000001 Ų | RDKit |
| LogP | -1.5205000000000009 | RDKit |
| Molar Refractivity | 67.87910000000001 | RDKit |
