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Molecule
Guanosine 5′-(Tetrahydrogen Triphosphate), Sodium Salt (1:2)
CAS: 56001-37-7 · C10H16N5Na2O14P3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 56001-37-7
- Molecular Formula
- C10H16N5Na2O14P3
- Molecular Mass
- 569.16 g/mol
Identifiers
CAS Registry Number
56001-37-7
SMILES
N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1.[Na].[Na]
InChI Key
DHIFWVZWUDFHNP-LGVAUZIVSA-N
InChI
InChI=1S/C10H16N5O14P3.2Na/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21;;/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18);;/t3-,5-,6-,9-;;/m1../s1
Names and Synonyms
- Guanosine 5′-(Tetrahydrogen Triphosphate), Sodium Salt (1:2) Synonym
- Guanosine 5′-(tetrahydrogen triphosphate), sodium salt (1:2) Synonym
- Guanosine 5′-(tetrahydrogen triphosphate), disodium salt Synonym
- Guanosine 5′-triphosphoric acid disodium salt Synonym
- GTP disodium salt Synonym
- 5′-GTP di-Na salt Synonym
- Disodium 5′-GTP Synonym
- Disodium guanosine triphosphate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 569.16 g/mol | CAS Common Chemistry |
| 569.1610000000002 g/mol | RDKit | |
| 569.161 g/mol | RDKit | |
| 571.177 g/mol | chempirical lib | |
| Canonical SMILES | [Na].O=C1N=C(N)NC2=C1N=CN2C3OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C3O | CAS Common Chemistry |
| InChI | InChI=1S/C10H16N5O14P3.2Na/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21;;/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18);;/t3-,5-,6-,9-;;/m1../s1 | CAS Common Chemistry |
| InChI Key | InChIKey=DHIFWVZWUDFHNP-LGVAUZIVSA-N | CAS Common Chemistry |
| Name | Guanosine 5′-(tetrahydrogen triphosphate), sodium salt (1:2) | CAS Common Chemistry |
| Heavy Atom Count | 34 | RDKit |
| Hydrogen Bond Acceptors | 14 | RDKit |
| 13 | RDKit | |
| Hydrogen Bond Donors | 9 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 300.09 Ų | RDKit |
| LogP | -2.8546300000000007 | RDKit |
| -2.8546 | RDKit | |
| Molar Refractivity | 106.6465 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 568.9701986419998 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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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.
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MW = 569.16 g/mol. Edit any field — others recompute live.
