Back to Search
Molecule
Uridine Diphosphate
CAS: 58-98-0 · C9H14N2O12P2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 58-98-0
- Molecular Formula
- C9H14N2O12P2
- Molecular Mass
- 404.16 g/mol
Identifiers
CAS Registry Number
58-98-0
SMILES
O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O
InChI Key
XCCTYIAWTASOJW-XVFCMESISA-N
InChI
InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
Names and Synonyms
- Uridine Diphosphate Common Name
- Uridine 5′-(trihydrogen diphosphate) Synonym
- Uridine diphosphate Synonym
- Uridine 5′-(trihydrogen pyrophosphate) Synonym
- Uridine pyrophosphate Synonym
- UDP Synonym
- Uridine 5′-pyrophosphoric acid Synonym
- Uridine 5′-pyrophosphate Synonym
- Uridine, 5′-(trihydrogen diphosphate) Synonym
- Uridine 5′-diphosphate Synonym
- 5′-UDP Synonym
- Uridine 5′-diphosphoric acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 404.16 g/mol | CAS Common Chemistry |
| 404.161 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Uridine_diphosphate | CAS Common Chemistry |
| Canonical SMILES | O=C1C=CN(C(=O)N1)C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O | CAS Common Chemistry |
| InChI | InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=XCCTYIAWTASOJW-XVFCMESISA-N | CAS Common Chemistry |
| Name | Uridine diphosphate | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 11 | RDKit |
| 10 | RDKit | |
| Hydrogen Bond Donors | 6 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 218.09999999999997 Ų | RDKit |
| 218.1 Ų | RDKit | |
| LogP | -2.2056000000000004 | RDKit |
| -2.2056 | RDKit | |
| Molar Refractivity | 74.99180000000001 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5556 | RDKit |
| 0.56 | chempirical lib | |
| Exact Mass | 404.0021971479999 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.
External Resources
Convert
Quick conversion
MW = 404.16 g/mol. Edit any field — others recompute live.
