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Adenosine
CAS: 58-61-7 | C10H13N5O4
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
58-61-7
Molecular Formula:
C10H13N5O4
Molecular Mass:
267.25 g/mol
Names and Synonyms:
Adenosine
Adenosine
Adenine riboside
9-β-D-Ribofuranosyladenine
β-D-Adenosine
9H-Purin-6-amine, 9-β-D-ribofuranosyl-
β-D-Ribofuranose, 1-(6-amino-9H-purin-9-yl)-1-deoxy-
β-D-Ribofuranoside, adenine-9
β-Adenosine
Boniton
Myocol
Nucleocardyl
Sandesin
Riboadenosine
9-β-D-Ribofuranosyl-9H-purin-6-amine
D-Adenosine
Adenocard
Adenoscan
Adrekar
Adenocor
NSC 7652
24: PN: WO2007053194 SEQID: 49 claimed sequence
26: PN: WO2007053194 SEQID: 49 claimed sequence
27: PN: WO2007053194 SEQID: 49 claimed sequence
Adenogesic
NQZ-012
Identifiers:
SMILES:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChI:
InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
Key Properties
Melting Point
235.5 °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 |
| 267.245 g/mol | RDKit | |
| 267.096753896 g/mol | RDKit | |
| Canonical SMILES | OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1O | CAS Common Chemistry |
| InChI | InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=OIRDTQYFTABQOQ-KQYNXXCUSA-N | CAS Common Chemistry |
| Melting Point | 235.5 °C | CAS Common Chemistry |
| Name | Adenosine | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 9 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 139.54000000000002 Ų | RDKit |
| LogP | -1.9800000000000006 | RDKit |
| Molar Refractivity | 62.744800000000026 | RDKit |
