Back to Search
Methyl 2,3-O-(1-Methylethylidene)-Β-D-Ribofuranoside
CAS: 4099-85-8 | C9H16O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4099-85-8
Molecular Formula:
C9H16O5
Molecular Mass:
204.22 g/mol
Names and Synonyms:
Methyl 2,3-O-(1-Methylethylidene)-Β-D-Ribofuranoside
β-D-Ribofuranoside, methyl 2,3-O-(1-methylethylidene)-
Ribofuranoside, methyl 2,3-O-isopropylidene-, β-D-
Ribofuranoside, methyl 2,3-O-isopropylidene-
Furo[3,4-d]-1,3-dioxole, β-D-ribofuranoside deriv.
Methyl 2,3-O-(1-methylethylidene)-β-D-ribofuranoside
Methyl 2,3-O-isopropylidene-β-D-ribofuranoside
NSC 85191
Identifiers:
SMILES:
CO[C@@H]1O[C@H](CO)[C@H]2OC(C)(C)O[C@@H]12
InChI:
InChI=1S/C9H16O5/c1-9(2)13-6-5(4-10)12-8(11-3)7(6)14-9/h5-8,10H,4H2,1-3H3/t5-,6-,7-,8-/m1/s1
Key Properties
Boiling Point
92-94 °C @ Press: 0.08 Torr
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 | 204.22 g/mol | CAS Common Chemistry |
| 204.22199999999998 g/mol | RDKit | |
| 204.099773612 g/mol | RDKit | |
| Boiling Point | 92-94 °C @ Press: 0.08 Torr | CAS Common Chemistry |
| Canonical SMILES | OCC1OC(OC)C2OC(OC12)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H16O5/c1-9(2)13-6-5(4-10)12-8(11-3)7(6)14-9/h5-8,10H,4H2,1-3H3/t5-,6-,7-,8-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=DXBHDBLZPXQALN-WCTZXXKLSA-N | CAS Common Chemistry |
| Name | Methyl 2,3-O-(1-methylethylidene)-β-D-ribofuranoside | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 57.150000000000006 Ų | RDKit |
| LogP | -0.12990000000000057 | RDKit |
| Molar Refractivity | 46.58080000000003 | RDKit |
