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Nicotinamide Riboside
CAS: 1341-23-7 | C11H15N2O5+
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1341-23-7
Molecular Formula:
C11H15N2O5+
Molecular Mass:
255.25 g/mol
Names and Synonyms:
Nicotinamide Riboside
Pyridinium, 3-(aminocarbonyl)-1-β-D-ribofuranosyl-
Pyridinium, 3-carbamoyl-1-β-D-ribofuranosyl-
3-(Aminocarbonyl)-1-β-D-ribofuranosylpyridinium
Nicotinamide ribonucleoside
Nicotinamide ribose
Nicotinamide riboside
3-Pyridinecarboxamide, 1-β-D-ribosyl-
Ribosylnicotinamide
Identifiers:
SMILES:
N=C(O)c1ccc[n+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1
InChI:
InChI=1S/C11H14N2O5/c12-10(17)6-2-1-3-13(4-6)11-9(16)8(15)7(5-14)18-11/h1-4,7-9,11,14-16H,5H2,(H-,12,17)/p+1/t7-,8-,9-,11-/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 | 255.25 g/mol | CAS Common Chemistry |
| 255.09754800009 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Nicotinamide_riboside | CAS Common Chemistry |
| Canonical SMILES | O=C(N)C1=CC=C[N+](=C1)C2OC(CO)C(O)C2O | CAS Common Chemistry |
| InChI | InChI=1S/C11H14N2O5/c12-10(17)6-2-1-3-13(4-6)11-9(16)8(15)7(5-14)18-11/h1-4,7-9,11,14-16H,5H2,(H-,12,17)/p+1/t7-,8-,9-,11-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=JLEBZPBDRKPWTD-TURQNECASA-O | CAS Common Chemistry |
| Name | Nicotinamide riboside | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 117.88000000000001 Ų | RDKit |
| LogP | -1.53103 | RDKit |
| Molar Refractivity | 59.10390000000003 | RDKit |
