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Molecule
Uridine-5′-Triphosphate Trisodium Salt
CAS: 19817-92-6 · C9H15N2Na3O15P3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 19817-92-6
- Molecular Formula
- C9H15N2Na3O15P3
- Molecular Mass
- 553.11 g/mol
Identifiers
CAS Registry Number
19817-92-6
SMILES
O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.[Na].[Na].[Na]
InChI Key
SDQNQGQCJKAXRG-LLWADOMFSA-N
InChI
InChI=1S/C9H15N2O15P3.3Na/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18;;;/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18);;;/t4-,6-,7-,8-;;;/m1.../s1
Names and Synonyms
- Uridine-5′-Triphosphate Trisodium Salt Common Name
- Uridine 5′-(tetrahydrogen triphosphate), sodium salt (1:3) Synonym
- Uridine 5′-(tetrahydrogen triphosphate), trisodium salt Synonym
- Utipina Synonym
- UTP trisodium salt Synonym
- Uridine-5′-triphosphate trisodium salt Synonym
- Trisodium UTP Synonym
- NSC 20260 Synonym
- Uridine triphosphate trisodium Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 553.11 g/mol | CAS Common Chemistry |
| 556.134 g/mol | chempirical lib | |
| Canonical SMILES | [Na].O=C1C=CN(C(=O)N1)C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O | CAS Common Chemistry |
| InChI | InChI=1S/C9H15N2O15P3.3Na/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18;;;/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18);;;/t4-,6-,7-,8-;;;/m1.../s1 | CAS Common Chemistry |
| InChI Key | InChIKey=SDQNQGQCJKAXRG-LLWADOMFSA-N | CAS Common Chemistry |
| Name | Uridine-5′-triphosphate trisodium salt | CAS Common Chemistry |
| Heavy Atom Count | 32 | RDKit |
| Hydrogen Bond Acceptors | 13 | RDKit |
| 12 | RDKit | |
| Hydrogen Bond Donors | 7 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 264.62999999999994 Ų | RDKit |
| 264.63 Ų | RDKit | |
| LogP | -3.231000000000001 | RDKit |
| -3.231 | RDKit | |
| Molar Refractivity | 103.16410000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5556 | RDKit |
| 0.56 | chempirical lib | |
| Exact Mass | 552.9378355099998 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
160
140
120
100
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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 = 553.11 g/mol. Edit any field — others recompute live.
