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Molecule
2′,3′-O-Isopropylideneuridine
CAS: 362-43-6 · C12H16N2O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 362-43-6
- Molecular Formula
- C12H16N2O6
- Molecular Mass
- 284.27 g/mol
Identifiers
CAS Registry Number
362-43-6
SMILES
CC1(C)O[C@@H]2[C@H](O1)[C@@H](CO)O[C@H]2n1ccc(O)nc1=O
InChI Key
GFDUSNQQMOENLR-PEBGCTIMSA-N
InChI
InChI=1S/C12H16N2O6/c1-12(2)19-8-6(5-15)18-10(9(8)20-12)14-4-3-7(16)13-11(14)17/h3-4,6,8-10,15H,5H2,1-2H3,(H,13,16,17)/t6-,8-,9-,10-/m1/s1
Names and Synonyms
- 2′,3′-O-Isopropylideneuridine Systematic Name
- Uridine, 2′,3′-O-(1-methylethylidene)- Synonym
- Uridine, 2′,3′-O-isopropylidene- Synonym
- Furo[3,4-d]-1,3-dioxole, uridine deriv. Synonym
- 2′,3′-O-(1-Methylethylidene)uridine Synonym
- Uridine 2′,3′-acetonide Synonym
- 2′,3′-O-Isopropylideneuridine Synonym
- NSC 520038 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 284.27 g/mol | CAS Common Chemistry |
| 284.26800000000003 g/mol | RDKit | |
| 284.268 g/mol | RDKit | |
| Canonical SMILES | O=C1C=CN(C(=O)N1)C2OC(CO)C3OC(OC23)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C12H16N2O6/c1-12(2)19-8-6(5-15)18-10(9(8)20-12)14-4-3-7(16)13-11(14)17/h3-4,6,8-10,15H,5H2,1-2H3,(H,13,16,17)/t6-,8-,9-,10-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=GFDUSNQQMOENLR-PEBGCTIMSA-N | CAS Common Chemistry |
| Melting Point | 168-170 °C | CAS Common Chemistry |
| Name | 2′,3′-O-Isopropylideneuridine | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| 7 | RDKit | |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 103.03999999999999 Ų | RDKit |
| 103.04 Ų | RDKit | |
| 109.58 Ų | chempirical lib | |
| LogP | -0.6413000000000004 | RDKit |
| -0.6413 | RDKit | |
| Molar Refractivity | 64.98260000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 284.100836232 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| 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 = 284.27 g/mol. Edit any field — others recompute live.
