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Molecule
Guanosine Diphosphate
CAS: 146-91-8 · C10H15N5O11P2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 146-91-8
- Molecular Formula
- C10H15N5O11P2
- Molecular Mass
- 443.20 g/mol
Identifiers
CAS Registry Number
146-91-8
SMILES
N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1
InChI Key
QGWNDRXFNXRZMB-UUOKFMHZSA-N
InChI
InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
Names and Synonyms
- Guanosine Diphosphate Common Name
- Guanosine 5′-(trihydrogen diphosphate) Synonym
- Guanosine 5′-(trihydrogen pyrophosphate) Synonym
- Guanosine pyrophosphate Synonym
- GDP Synonym
- 5′-GDP Synonym
- Guanosine diphosphate Synonym
- Guanosine 5′-pyrophosphate Synonym
- Guanosine, mono(trihydrogen diphosphate) (ester) Synonym
- Guanosine 5′-diphosphate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 443.20 g/mol | CAS Common Chemistry |
| 443.20200000000006 g/mol | RDKit | |
| 443.202 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Guanosine_diphosphate | CAS Common Chemistry |
| Canonical SMILES | O=C1N=C(N)NC2=C1N=CN2C3OC(COP(=O)(O)OP(=O)(O)O)C(O)C3O | CAS Common Chemistry |
| InChI | InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=QGWNDRXFNXRZMB-UUOKFMHZSA-N | CAS Common Chemistry |
| Name | GDP | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 12 | RDKit |
| 11 | RDKit | |
| Hydrogen Bond Donors | 8 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 253.55999999999992 Ų | RDKit |
| 253.56 Ų | RDKit | |
| 271.14 Ų | chempirical lib | |
| LogP | -2.210030000000001 | RDKit |
| -2.21 | RDKit | |
| -1.99 | chempirical lib | |
| Molar Refractivity | 84.22819999999999 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 443.0243295599999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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 = 443.20 g/mol. Edit any field — others recompute live.
