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Molecule
Deoxyadenosine Monophosphate
CAS: 653-63-4 · C10H14N5O6P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 653-63-4
- Molecular Formula
- C10H14N5O6P
- Molecular Mass
- 331.23 g/mol
Identifiers
CAS Registry Number
653-63-4
SMILES
Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)O)O1
InChI Key
KHWCHTKSEGGWEX-RRKCRQDMSA-N
InChI
InChI=1S/C10H14N5O6P/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(21-7)2-20-22(17,18)19/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1
Names and Synonyms
- Deoxyadenosine Monophosphate Synonym
- 5′-Adenylic acid, 2′-deoxy- Synonym
- Adenosine, 2′-deoxy-, 5′-(dihydrogen phosphate) Synonym
- 2′-Deoxy-5′-adenylic acid Synonym
- 2′-Deoxyadenosine 5′-phosphate Synonym
- 2′-Deoxyadenylic acid Synonym
- 2′-Deoxyadenosine monophosphate Synonym
- dAMP Synonym
- Deoxyadenylic acid Synonym
- 2′-Deoxyadenosine 5′-monophosphate Synonym
- Deoxyadenosine 5′-phosphate Synonym
- Deoxyadenosine monophosphate Synonym
- Deoxyadenosine 5′-monophosphate Synonym
- Deoxy-AMP Synonym
- 2′-Deoxy-AMP Synonym
- PdA Synonym
- 2′-Deoxy-5′-AMP Synonym
- NSC 77680 Synonym
- NSC 82625 Synonym
- 5′-dAMP Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 331.23 g/mol | CAS Common Chemistry |
| 331.225 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Deoxyadenosine_monophosphate | CAS Common Chemistry |
| Canonical SMILES | O=P(O)(O)OCC1OC(N2C=NC=3C(=NC=NC32)N)CC1O | CAS Common Chemistry |
| InChI | InChI=1S/C10H14N5O6P/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(21-7)2-20-22(17,18)19/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=KHWCHTKSEGGWEX-RRKCRQDMSA-N | CAS Common Chemistry |
| Name | dAMP | CAS Common Chemistry |
| Deoxyadenosine monophosphate | CAS Common Chemistry | |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 9 | RDKit |
| 8 | RDKit | |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 165.83999999999997 Ų | RDKit |
| 165.84 Ų | RDKit | |
| 175.92 Ų | chempirical lib | |
| LogP | -0.8338000000000003 | RDKit |
| -0.8338 | RDKit | |
| Molar Refractivity | 72.26530000000001 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 331.0681697979999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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 = 331.23 g/mol. Edit any field — others recompute live.
