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Molecule
Uracil Arabinoside
CAS: 3083-77-0 · C9H12N2O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 3083-77-0
- Molecular Formula
- C9H12N2O6
- Molecular Mass
- 244.20 g/mol
Identifiers
CAS Registry Number
3083-77-0
SMILES
O=c1nc(O)ccn1[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
InChI Key
DRTQHJPVMGBUCF-CCXZUQQUSA-N
InChI
InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7+,8-/m1/s1
Names and Synonyms
- Uracil Arabinoside Synonym
- 2,4(1H,3H)-Pyrimidinedione, 1-β-D-arabinofuranosyl- Synonym
- Uracil, 1-β-D-arabinofuranosyl- Synonym
- 1-β-D-Arabinofuranosyl-2,4(1H,3H)-pyrimidinedione Synonym
- Spongouridine Synonym
- Uracil arabinoside Synonym
- 1-β-D-Arabinofuranosyluracil Synonym
- Arauridine Synonym
- Uracil β-D-arabinofuranoside Synonym
- Arabinosyluracil Synonym
- Arabinofuranosyluracil Synonym
- Spongouridin Synonym
- Ara-U Synonym
- NSC 68928 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 244.20 g/mol | CAS Common Chemistry |
| 244.20299999999997 g/mol | RDKit | |
| 244.203 g/mol | RDKit | |
| Canonical SMILES | O=C1C=CN(C(=O)N1)C2OC(CO)C(O)C2O | CAS Common Chemistry |
| InChI | InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7+,8-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=DRTQHJPVMGBUCF-CCXZUQQUSA-N | CAS Common Chemistry |
| Melting Point | 213-216 °C | CAS Common Chemistry |
| Name | Uracil arabinoside | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| 7 | RDKit | |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 125.04 Ų | RDKit |
| 131.58 Ų | chempirical lib | |
| LogP | -2.4396 | RDKit |
| Molar Refractivity | 53.171200000000034 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5556 | RDKit |
| 0.56 | chempirical lib | |
| Exact Mass | 244.069536104 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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 = 244.20 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H12N2O6.
