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Molecule
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
Identifiers
CAS Registry Number
6025-53-2
SMILES
C/C(=CCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)CO
InChI Key
GOSWTRUMMSCNCW-HNNGNKQASA-N
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
Names and Synonyms
- Zeatin Riboside Synonym
- Adenosine, N-[(2E)-4-hydroxy-3-methyl-2-buten-1-yl]- Synonym
- Adenosine, N-(4-hydroxy-3-methyl-2-butenyl)-, (E)- Synonym
- Zeatin riboside Synonym
- Adenosine, N-[(2E)-4-hydroxy-3-methyl-2-butenyl]- Synonym
- N-[(2E)-4-Hydroxy-3-methyl-2-buten-1-yl]adenosine Synonym
- Zeatin ribonucleoside Synonym
- trans-Zeatin riboside Synonym
- 9-β-D-Ribofuranosylzeatin Synonym
- N6-(trans-4-Hydroxy-3-methylbut-2-enyl)adenosine Synonym
- Ribosylzeatin Synonym
- Ribosyl-trans-zeatin Synonym
- 9-Ribosyl-trans-zeatin Synonym
- Zeatin 9-β-ribonucleoside Synonym
- N6-(4-Hydroxy-3-methylbut-2-trans-enyl)adenosine Synonym
- 6-(4-Hydroxy-3-methyl-trans-2-butenylamino)-9-β-D-ribofuranosylpurine Synonym
- Zeatin 9-riboside Synonym
- Zeatin-9-β-D-ribofuranoside Synonym
- trans-Zeatin 9-riboside Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 351.36 g/mol | CAS Common Chemistry |
| 351.36300000000006 g/mol | RDKit | |
| 351.363 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 |
| 9 | RDKit | |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 145.78 Ų | RDKit |
| 142.27 Ų | chempirical lib | |
| LogP | -1.2117 | RDKit |
| Molar Refractivity | 87.66490000000002 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5333 | RDKit |
| 0.53 | chempirical lib | |
| Exact Mass | 351.15426877199997 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
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MW = 351.36 g/mol. Edit any field — others recompute live.
