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Molecule
Guanosine Monophosphate
CAS: 85-32-5 · C10H14N5O8P
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 85-32-5
- Molecular Formula
- C10H14N5O8P
- Molecular Mass
- 363.22 g/mol
Identifiers
CAS Registry Number
85-32-5
SMILES
N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1
InChI Key
RQFCJASXJCIDSX-UUOKFMHZSA-N
InChI
InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
Names and Synonyms
- Guanosine Monophosphate Common Name
- 5′-Guanylic acid Synonym
- GMP Synonym
- Guanosine 5′-(dihydrogen phosphate) Synonym
- Guanylic acid Synonym
- 5′-GMP Synonym
- Guanosine monophosphate Synonym
- Guanosine 5′-phosphate Synonym
- Guanidine monophosphate Synonym
- Guanosine 5′-monophosphate Synonym
- Guanosine 5′-phosphoric acid Synonym
- E 626 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 363.22 g/mol | CAS Common Chemistry |
| 363.223 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Guanosine_monophosphate | CAS Common Chemistry |
| Canonical SMILES | O=C1N=C(N)NC2=C1N=CN2C3OC(COP(=O)(O)O)C(O)C3O | CAS Common Chemistry |
| InChI | InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=RQFCJASXJCIDSX-UUOKFMHZSA-N | CAS Common Chemistry |
| Name | Guanosine monophosphate | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 10 | RDKit |
| 9 | RDKit | |
| Hydrogen Bond Donors | 7 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 207.02999999999994 Ų | RDKit |
| 207.03 Ų | RDKit | |
| 211.02 Ų | chempirical lib | |
| LogP | -2.327030000000001 | RDKit |
| -2.327 | RDKit | |
| Molar Refractivity | 73.3179 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 363.05799903799993 g/mol | RDKit |
| Boiling Point | 64 °C @ 0.05 Torr | CAS Common Chemistry |
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 = 363.22 g/mol. Edit any field — others recompute live.
