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Di-O-Acetyl-L-Rhamnal
CAS: 34819-86-8 | C10H14O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
34819-86-8
Molecular Formula:
C10H14O5
Molecular Mass:
214.22 g/mol
Names and Synonyms:
Di-O-Acetyl-L-Rhamnal
L-arabino-Hex-1-enitol, 1,5-anhydro-2,6-dideoxy-, 3,4-diacetate
L-arabino-Hex-1-enitol, 1,5-anhydro-2,6-dideoxy-, diacetate
3,4-Di-O-acetyl-L-rhamnal
Diacetyl-L-rhamnal
Di-O-acetyl-L-rhamnal
L-Rhamnal diacetate
6-Deoxy-L-glucal diacetate
3,4-Di-O-acetyl-6-deoxy-L-glucal
Identifiers:
SMILES:
CC(=O)O[C@H]1[C@H](C)OC=C[C@@H]1OC(C)=O
InChI:
InChI=1S/C10H14O5/c1-6-10(15-8(3)12)9(4-5-13-6)14-7(2)11/h4-6,9-10H,1-3H3/t6-,9-,10-/m0/s1
Key Properties
Boiling Point
68-69 °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 | 214.22 g/mol | CAS Common Chemistry |
| 214.21699999999998 g/mol | RDKit | |
| 214.084123548 g/mol | RDKit | |
| Boiling Point | 68-69 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(OC1C=COC(C)C1OC(=O)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H14O5/c1-6-10(15-8(3)12)9(4-5-13-6)14-7(2)11/h4-6,9-10H,1-3H3/t6-,9-,10-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=NDEGMKQAZZBNBB-JUWDTYFHSA-N | CAS Common Chemistry |
| Name | Di-O-acetyl-L-rhamnal | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 61.830000000000005 Ų | RDKit |
| LogP | 0.7822 | RDKit |
| Molar Refractivity | 50.79500000000003 | RDKit |
