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Molecule
9-Β-D-Arabinofuranosylguanine
CAS: 38819-10-2 · C10H13N5O5
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 38819-10-2
- Molecular Formula
- C10H13N5O5
- Molecular Mass
- 283.24 g/mol
Identifiers
CAS Registry Number
38819-10-2
SMILES
N=c1nc(O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3O)c2[nH]1
InChI Key
NYHBQMYGNKIUIF-FJFJXFQQSA-N
InChI
InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6+,9-/m1/s1
Names and Synonyms
- 9-Β-D-Arabinofuranosylguanine Synonym
- 6H-Purin-6-one, 2-amino-9-β-D-arabinofuranosyl-1,9-dihydro- Synonym
- Guanine, 9-β-D-arabinofuranosyl- Synonym
- 2-Amino-9-β-D-arabinofuranosyl-1,9-dihydro-6H-purin-6-one Synonym
- 2-Amino-6-hydroxy-9-(β-D-arabinofuranosyl)purine Synonym
- 9-β-D-Arabinofuranosylguanine Synonym
- Guanine arabinoside Synonym
- Araguanosine Synonym
- ara-Guanosine Synonym
- NSC 76352 Synonym
- Arabinoguanosine Synonym
- A 4233 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 283.24 g/mol | CAS Common Chemistry |
| 283.244 g/mol | RDKit | |
| Canonical SMILES | O=C1N=C(N)NC2=C1N=CN2C3OC(CO)C(O)C3O | CAS Common Chemistry |
| InChI | InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6+,9-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=NYHBQMYGNKIUIF-FJFJXFQQSA-N | CAS Common Chemistry |
| Name | 9-β-D-Arabinofuranosylguanine | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 9 | RDKit |
| 8 | RDKit | |
| Hydrogen Bond Donors | 6 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 160.5 Ų | RDKit |
| 150.9 Ų | chempirical lib | |
| LogP | -2.44403 | RDKit |
| -2.444 | RDKit | |
| Molar Refractivity | 62.407600000000016 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 283.091668516 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 283.24 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H13N5O5.
