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Uridine-5′-Triphosphate Trisodium Salt
CAS: 19817-92-6 | C9H15N2Na3O15P3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
19817-92-6
Molecular Formula:
C9H15N2Na3O15P3
Molecular Mass:
553.11 g/mol
Names and Synonyms:
Uridine-5′-Triphosphate Trisodium Salt
Uridine 5′-(tetrahydrogen triphosphate), sodium salt (1:3)
Uridine 5′-(tetrahydrogen triphosphate), trisodium salt
Utipina
UTP trisodium salt
Uridine-5′-triphosphate trisodium salt
Trisodium UTP
NSC 20260
Uridine triphosphate trisodium
Identifiers:
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:
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
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 553.11 g/mol | CAS Common Chemistry |
| 552.9378355099998 g/mol | RDKit | |
| 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 |
| Hydrogen Bond Donors | 7 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 264.62999999999994 Ų | RDKit |
| LogP | -3.231000000000001 | RDKit |
| Molar Refractivity | 103.16410000000002 | RDKit |
