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2′,3′-O-Isopropylideneuridine
CAS: 362-43-6 | C12H16N2O6
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
362-43-6
Molecular Formula:
C12H16N2O6
Molecular Mass:
284.27 g/mol
Names and Synonyms:
2′,3′-O-Isopropylideneuridine
Uridine, 2′,3′-O-(1-methylethylidene)-
Uridine, 2′,3′-O-isopropylidene-
Furo[3,4-d]-1,3-dioxole, uridine deriv.
2′,3′-O-(1-Methylethylidene)uridine
Uridine 2′,3′-acetonide
2′,3′-O-Isopropylideneuridine
NSC 520038
Identifiers:
SMILES:
CC1(C)O[C@@H]2[C@H](O1)[C@@H](CO)O[C@H]2n1ccc(O)nc1=O
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
Key Properties
Melting Point
168-170 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 284.27 g/mol | CAS Common Chemistry |
| 284.26800000000003 g/mol | RDKit | |
| 284.100836232 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 |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 103.03999999999999 Ų | RDKit |
| LogP | -0.6413000000000004 | RDKit |
| Molar Refractivity | 64.98260000000003 | RDKit |
