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Molecule
Adenosine Monophosphate
CAS: 61-19-8 · C10H14N5O7P
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 61-19-8
- Molecular Formula
- C10H14N5O7P
- Molecular Mass
- 347.22 g/mol
Identifiers
CAS Registry Number
61-19-8
SMILES
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O
InChI Key
UDMBCSSLTHHNCD-KQYNXXCUSA-N
InChI
InChI=1S/C10H14N5O7P/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
- Adenosine Monophosphate Common Name
- 5′-Adenylic acid Synonym
- 5′-AMP Synonym
- Adenosine 5′-monophosphate Synonym
- Adenosine-5-monophosphoric acid Synonym
- Adenosine phosphate Synonym
- Adenosine 5′-phosphate Synonym
- Adenosine 5′-phosphoric acid Synonym
- Lycedan Synonym
- My-B-Den Synonym
- Phosaden Synonym
- Phosphentaside Synonym
- AMP Synonym
- Adenosine-5′-monophosphoric acid Synonym
- Adenylic acid Synonym
- AMP (nucleotide) Synonym
- Adenovite Synonym
- Cardiomone Synonym
- Phosphaden Synonym
- Adenosine 5′-(dihydrogen phosphate) Synonym
- Adenosine monophosphate Synonym
- NSC 20264 Synonym
- β-D-Adenosine 5′-phosphate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 347.22 g/mol | CAS Common Chemistry |
| 347.224 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Adenosine_monophosphate | CAS Common Chemistry |
| Canonical SMILES | O=P(O)(O)OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1O | CAS Common Chemistry |
| InChI | InChI=1S/C10H14N5O7P/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=UDMBCSSLTHHNCD-KQYNXXCUSA-N | CAS Common Chemistry |
| Melting Point | 196-200 °C | CAS Common Chemistry |
| Name | Adenosine monophosphate | CAS Common Chemistry |
| Heavy Atom Count | 23 | 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 | -1.8630000000000009 | RDKit |
| -1.863 | RDKit | |
| Molar Refractivity | 73.6551 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 347.0630844179999 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.
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MW = 347.22 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H14N5O7P.
