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Zeatin Riboside
CAS: 6025-53-2 | C15H21N5O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6025-53-2
Molecular Formula:
C15H21N5O5
Molecular Mass:
351.36 g/mol
Names and Synonyms:
Zeatin Riboside
Adenosine, N-[(2E)-4-hydroxy-3-methyl-2-buten-1-yl]-
Adenosine, N-(4-hydroxy-3-methyl-2-butenyl)-, (E)-
Zeatin riboside
Adenosine, N-[(2E)-4-hydroxy-3-methyl-2-butenyl]-
N-[(2E)-4-Hydroxy-3-methyl-2-buten-1-yl]adenosine
Zeatin ribonucleoside
trans-Zeatin riboside
9-β-D-Ribofuranosylzeatin
N6-(trans-4-Hydroxy-3-methylbut-2-enyl)adenosine
Ribosylzeatin
Ribosyl-trans-zeatin
9-Ribosyl-trans-zeatin
Zeatin 9-β-ribonucleoside
N6-(4-Hydroxy-3-methylbut-2-trans-enyl)adenosine
6-(4-Hydroxy-3-methyl-trans-2-butenylamino)-9-β-D-ribofuranosylpurine
Zeatin 9-riboside
Zeatin-9-β-D-ribofuranoside
trans-Zeatin 9-riboside
Identifiers:
SMILES:
C/C(=CCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)CO
InChI:
InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)/b8-2+/t9-,11-,12-,15-/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 | 351.36 g/mol | CAS Common Chemistry |
| 351.36300000000006 g/mol | RDKit | |
| 351.15426877199997 g/mol | RDKit | |
| Canonical SMILES | OCC(=CCNC1=NC=NC2=C1N=CN2C3OC(CO)C(O)C3O)C | CAS Common Chemistry |
| InChI | InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)/b8-2+/t9-,11-,12-,15-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=GOSWTRUMMSCNCW-HNNGNKQASA-N | CAS Common Chemistry |
| Name | Zeatin riboside | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 10 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 145.78 Ų | RDKit |
| LogP | -1.2117 | RDKit |
| Molar Refractivity | 87.66490000000002 | RDKit |
