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Molecule
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
Identifiers
CAS Registry Number
4099-85-8
SMILES
CO[C@@H]1O[C@H](CO)[C@H]2OC(C)(C)O[C@@H]12
InChI Key
DXBHDBLZPXQALN-WCTZXXKLSA-N
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
Names and Synonyms
- Methyl 2,3-O-(1-Methylethylidene)-Β-D-Ribofuranoside Systematic Name
- β-D-Ribofuranoside, methyl 2,3-O-(1-methylethylidene)- Synonym
- Ribofuranoside, methyl 2,3-O-isopropylidene-, β-D- Synonym
- Ribofuranoside, methyl 2,3-O-isopropylidene- Synonym
- Furo[3,4-d]-1,3-dioxole, β-D-ribofuranoside deriv. Synonym
- Methyl 2,3-O-(1-methylethylidene)-β-D-ribofuranoside Synonym
- Methyl 2,3-O-isopropylidene-β-D-ribofuranoside Synonym
- NSC 85191 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 204.22 g/mol | CAS Common Chemistry |
| 204.22199999999998 g/mol | RDKit | |
| 204.222 g/mol | RDKit | |
| 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 |
| 57.15 Ų | RDKit | |
| LogP | -0.12990000000000057 | RDKit |
| -0.1299 | RDKit | |
| Molar Refractivity | 46.58080000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 204.099773612 g/mol | RDKit |
| Boiling Point | 92-94 °C @ 0.08 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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5
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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.
External Resources
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MW = 204.22 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H16O5.
