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Molecule
Amp Sodium Salt
CAS: 13474-03-8 · C10H14N5NaO7P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 13474-03-8
- Molecular Formula
- C10H14N5NaO7P
- Molecular Mass
- 370.21 g/mol
Identifiers
CAS Registry Number
13474-03-8
SMILES
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.[Na]
InChI Key
JWJUYEHEBGNNAE-MCDZGGTQSA-N
InChI
InChI=1S/C10H14N5O7P.Na/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20;/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20);/t4-,6-,7-,10-;/m1./s1
Names and Synonyms
- Amp Sodium Salt Synonym
- 5′-Adenylic acid, sodium salt (1:?) Synonym
- 5′-Adenylic acid, sodium salt Synonym
- Sodium AMP Synonym
- AMP sodium salt Synonym
- Sodium adenosine-5′-monophosphate Synonym
- 5′-AMP sodium salt Synonym
- Adenosine 5′-monophosphate sodium salt Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 370.21 g/mol | CAS Common Chemistry |
| 370.214 g/mol | RDKit | |
| 371.222 g/mol | chempirical lib | |
| Canonical SMILES | [Na].O=P(O)(O)OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1O | CAS Common Chemistry |
| InChI | InChI=1S/C10H14N5O7P.Na/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20;/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20);/t4-,6-,7-,10-;/m1./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=JWJUYEHEBGNNAE-MCDZGGTQSA-N | CAS Common Chemistry |
| Name | AMP sodium salt | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 10 | RDKit |
| 9 | RDKit | |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 186.07 Ų | RDKit |
| 196.15 Ų | chempirical lib | |
| LogP | -2.2438000000000007 | RDKit |
| -2.2438 | RDKit | |
| Molar Refractivity | 79.40910000000001 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 370.0528536979999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 370.21 g/mol. Edit any field — others recompute live.
