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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
Names and Synonyms:
Uridine Diphosphate
Uridine 5′-(trihydrogen diphosphate)
Uridine diphosphate
Uridine 5′-(trihydrogen pyrophosphate)
Uridine pyrophosphate
UDP
Uridine 5′-pyrophosphoric acid
Uridine 5′-pyrophosphate
Uridine, 5′-(trihydrogen diphosphate)
Uridine 5′-diphosphate
5′-UDP
Uridine 5′-diphosphoric acid
Identifiers:
SMILES:
O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O
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
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 | 404.16 g/mol | CAS Common Chemistry |
| 404.161 g/mol | RDKit | |
| 404.0021971479999 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 |
| Hydrogen Bond Donors | 6 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 218.09999999999997 Ų | RDKit |
| LogP | -2.2056000000000004 | RDKit |
| Molar Refractivity | 74.99180000000001 | RDKit |
