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Molecule
Deoxyguanosine Monophosphate
CAS: 902-04-5 · C10H14N5O7P
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 902-04-5
- Molecular Formula
- C10H14N5O7P
- Molecular Mass
- 347.22 g/mol
Identifiers
CAS Registry Number
902-04-5
SMILES
N=c1nc(O)c2ncn([C@H]3C[C@H](O)[C@@H](COP(=O)(O)O)O3)c2[nH]1
InChI Key
LTFMZDNNPPEQNG-KVQBGUIXSA-N
InChI
InChI=1S/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1
Names and Synonyms
- Deoxyguanosine Monophosphate Common Name
- 5′-Guanylic acid, 2′-deoxy- Synonym
- Guanosine, 2′-deoxy-, 5′-(dihydrogen phosphate) Synonym
- Guanosine, 2′-deoxy-, phosphate Synonym
- Guanosine, 2′-deoxy-, 5′-phosphate Synonym
- 2′-Deoxy-5′-guanylic acid Synonym
- Deoxyguanosine 5′-monophosphate Synonym
- 2′-Deoxyguanosine 5′-phosphate Synonym
- dGMP Synonym
- 2′-dGMP Synonym
- 2′-Deoxyguanosine 5′-monophosphate Synonym
- 2′-Deoxyguanylic acid Synonym
- Deoxy-GMP Synonym
- Deoxyguanosine 5′-phosphate Synonym
- 2′-Deoxy-GMP Synonym
- 2′-Deoxy-5′-GMP Synonym
- NSC 82626 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 347.22 g/mol | CAS Common Chemistry |
| 347.22400000000005 g/mol | RDKit | |
| 347.224 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Deoxyguanosine_monophosphate | CAS Common Chemistry |
| Canonical SMILES | O=C1N=C(N)NC2=C1N=CN2C3OC(COP(=O)(O)O)C(O)C3 | CAS Common Chemistry |
| InChI | InChI=1S/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=LTFMZDNNPPEQNG-KVQBGUIXSA-N | CAS Common Chemistry |
| Name | 2′-Deoxyguanosine 5′-monophosphate | CAS Common Chemistry |
| Deoxyguanosine monophosphate | CAS Common Chemistry | |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 9 | RDKit |
| 8 | RDKit | |
| Hydrogen Bond Donors | 6 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 186.79999999999995 Ų | RDKit |
| 186.8 Ų | RDKit | |
| 190.79 Ų | chempirical lib | |
| LogP | -1.2978300000000003 | RDKit |
| -1.2978 | RDKit | |
| -1.25 | chempirical lib | |
| Molar Refractivity | 71.92810000000001 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
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 347.22 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H14N5O7P.
