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Molecule
Dideoxyguanosine
CAS: 85326-06-3 · C10H13N5O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 85326-06-3
- Molecular Formula
- C10H13N5O3
- Molecular Mass
- 251.25 g/mol
Identifiers
CAS Registry Number
85326-06-3
SMILES
N=c1nc(O)c2ncn([C@H]3CC[C@@H](CO)O3)c2[nH]1
InChI Key
OCLZPNCLRLDXJC-NTSWFWBYSA-N
InChI
InChI=1S/C10H13N5O3/c11-10-13-8-7(9(17)14-10)12-4-15(8)6-2-1-5(3-16)18-6/h4-6,16H,1-3H2,(H3,11,13,14,17)/t5-,6+/m0/s1
Names and Synonyms
- Dideoxyguanosine Common Name
- Guanosine, 2′,3′-dideoxy- Synonym
- 2′,3′-Dideoxyguanosine Synonym
- Dideoxyguanosine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 251.25 g/mol | CAS Common Chemistry |
| 251.24599999999998 g/mol | RDKit | |
| 251.246 g/mol | RDKit | |
| Canonical SMILES | O=C1N=C(N)NC2=C1N=CN2C3OC(CO)CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C10H13N5O3/c11-10-13-8-7(9(17)14-10)12-4-15(8)6-2-1-5(3-16)18-6/h4-6,16H,1-3H2,(H3,11,13,14,17)/t5-,6+/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=OCLZPNCLRLDXJC-NTSWFWBYSA-N | CAS Common Chemistry |
| Name | Dideoxyguanosine | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| 6 | RDKit | |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 120.03999999999999 Ų | RDKit |
| 120.04 Ų | RDKit | |
| 110.44 Ų | chempirical lib | |
| LogP | -0.3856300000000001 | RDKit |
| -0.3856 | RDKit | |
| Molar Refractivity | 59.628000000000014 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 251.101839276 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
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MW = 251.25 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H13N5O3.
