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Deoxyadenosine
CAS: 958-09-8 | C10H13N5O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
958-09-8
Molecular Formula:
C10H13N5O3
Molecular Mass:
251.25 g/mol
Names and Synonyms:
Deoxyadenosine
Adenosine, 2′-deoxy-
2′-Deoxyadenosine
Adenine deoxyribonucleoside
Adenine deoxyribose
Deoxyadenosine
β-D-erythro-Pentofuranoside, adenine-9 2-deoxy-
9H-Purin-6-amine, 9-(2-deoxy-β-D-erythro-pentofuranosyl)-
9H-Purin-6-amine, 9-(2-deoxy-β-D-ribofuranosyl)-
β-D-Ribofuranose, 1-(6-amino-9H-purin-9-yl)-1,2-dideoxy-
Adenyldeoxyriboside
Desoxyadenosine
9-(2-Deoxy-β-D-erythro-pentofuranosyl)adenine
dA
NSC 141848
NSC 143510
NSC 83258
167: PN: US20040053876 SEQID: 167 unclaimed DNA
NQZ-035
Identifiers:
SMILES:
Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1
InChI:
InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,7+/m0/s1
Key Properties
Melting Point
187.5-189.0 °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 | 251.25 g/mol | CAS Common Chemistry |
| 251.24599999999998 g/mol | RDKit | |
| 251.101839276 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Deoxyadenosine | CAS Common Chemistry |
| Canonical SMILES | OCC1OC(N2C=NC=3C(=NC=NC32)N)CC1O | CAS Common Chemistry |
| InChI | InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,7+/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=OLXZPDWKRNYJJZ-RRKCRQDMSA-N | CAS Common Chemistry |
| Melting Point | 187.5-189.0 °C | CAS Common Chemistry |
| Name | Deoxyadenosine | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 119.31000000000002 Ų | RDKit |
| LogP | -0.9508000000000003 | RDKit |
| Molar Refractivity | 61.355000000000025 | RDKit |
