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Molecule
Uridine Triphosphate
CAS: 63-39-8 · C9H15N2O15P3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 63-39-8
- Molecular Formula
- C9H15N2O15P3
- Molecular Mass
- 484.14 g/mol
Identifiers
CAS Registry Number
63-39-8
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
InChI Key
PGAVKCOVUIYSFO-XVFCMESISA-N
InChI
InChI=1S/C9H15N2O15P3/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 Triphosphate Common Name
- Uridine 5′-(tetrahydrogen triphosphate) Synonym
- Uridine 5′-triphosphate Synonym
- UTP (nucleotide) Synonym
- Uridine triphosphate Synonym
- Uridine, mono(tetrahydrogen triphosphate) (ester) Synonym
- Uteplex Synonym
- 5′-UTP Synonym
- UTP Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 484.14 g/mol | CAS Common Chemistry |
| 484.14000000000004 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Uridine_triphosphate | CAS Common Chemistry |
| Canonical SMILES | 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/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=PGAVKCOVUIYSFO-XVFCMESISA-N | CAS Common Chemistry |
| Name | UTP | CAS Common Chemistry |
| Heavy Atom Count | 29 | 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 | -2.088600000000001 | RDKit |
| -2.0886 | RDKit | |
| Molar Refractivity | 85.9021 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5556 | RDKit |
| 0.56 | chempirical lib | |
| Exact Mass | 483.96852766999984 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 = 484.14 g/mol. Edit any field — others recompute live.
