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Molecule
Guanosine, Cyclic 3′,5′-(Hydrogen Phosphate), Sodium Salt (1:1)
CAS: 40732-48-7 · C10H12N5NaO7P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 40732-48-7
- Molecular Formula
- C10H12N5NaO7P
- Molecular Mass
- 368.20 g/mol
Identifiers
CAS Registry Number
40732-48-7
SMILES
N=c1nc(O)c2ncn([C@@H]3O[C@@H]4COP(=O)(O)O[C@H]4[C@H]3O)c2[nH]1.[Na]
InChI Key
AXHGWWQNGZIPRX-GWTDSMLYSA-N
InChI
InChI=1S/C10H12N5O7P.Na/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6;/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17);/t3-,5-,6-,9-;/m1./s1
Names and Synonyms
- Guanosine, Cyclic 3′,5′-(Hydrogen Phosphate), Sodium Salt (1:1) Systematic Name
- Guanosine, cyclic 3′,5′-(hydrogen phosphate), sodium salt (1:1) Synonym
- Guanosine, cyclic 3′,5′-(hydrogen phosphate), monosodium salt Synonym
- 4H-Furo[3,2-d]-1,3,2-dioxaphosphorin, guanosine deriv. Synonym
- Cyclic 3′,5′-guanosine monophosphate monosodium salt Synonym
- Monosodium-GMP Synonym
- Guanosine monophosphate monosodium salt Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 368.20 g/mol | CAS Common Chemistry |
| 368.19800000000004 g/mol | RDKit | |
| 368.198 g/mol | RDKit | |
| 369.206 g/mol | chempirical lib | |
| Canonical SMILES | [Na].O=C1N=C(N)NC2=C1N=CN2C3OC4COP(=O)(O)OC4C3O | CAS Common Chemistry |
| InChI | InChI=1S/C10H12N5O7P.Na/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6;/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17);/t3-,5-,6-,9-;/m1./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=AXHGWWQNGZIPRX-GWTDSMLYSA-N | CAS Common Chemistry |
| Name | Guanosine, cyclic 3′,5′-(hydrogen phosphate), sodium salt (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 10 | RDKit |
| 9 | RDKit | |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 175.79999999999995 Ų | RDKit |
| 175.8 Ų | RDKit | |
| 179.79 Ų | chempirical lib | |
| LogP | -1.6622300000000005 | RDKit |
| -1.6622 | RDKit | |
| Molar Refractivity | 75.7193 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 368.037203634 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 = 368.20 g/mol. Edit any field — others recompute live.
