Back to Search
Deoxyguanosine
CAS: 961-07-9 | C10H13N5O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
961-07-9
Molecular Formula:
C10H13N5O4
Molecular Mass:
267.25 g/mol
Names and Synonyms:
Deoxyguanosine
Guanosine, 2′-deoxy-
2′-Deoxyguanosine
Deoxyguanosine
Guanine, 9-(2-deoxy-β-D-erythro-pentofuranosyl)-
Guanine deoxyriboside
NSC 22837
9-(2-Deoxy-β-D-erythro-pentofuranosyl)guanine
212: PN: WO2012148497 TABLE: 6 claimed sequence
13: PN: CN104513856 PAGE: 2 claimed sequence
2′-Deoxyguanine
Identifiers:
SMILES:
N=c1nc(O)c2ncn([C@H]3C[C@H](O)[C@@H](CO)O3)c2[nH]1
InChI:
InChI=1S/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,6+/m0/s1
Key Properties
Melting Point
250 °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 | 267.25 g/mol | CAS Common Chemistry |
| 267.24499999999995 g/mol | RDKit | |
| 267.096753896 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Deoxyguanosine | CAS Common Chemistry |
| Canonical SMILES | O=C1N=C(N)NC2=C1N=CN2C3OC(CO)C(O)C3 | CAS Common Chemistry |
| InChI | InChI=1S/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,6+/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=YKBGVTZYEHREMT-KVQBGUIXSA-N | CAS Common Chemistry |
| Melting Point | 250 °C | CAS Common Chemistry |
| Name | Deoxyguanosine | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 140.27 Ų | RDKit |
| LogP | -1.4148300000000003 | RDKit |
| Molar Refractivity | 61.017800000000015 | RDKit |
