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Molecule
2,3-O-Isopropylidene-D-Ribonolactone
CAS: 30725-00-9 · C8H12O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 30725-00-9
- Molecular Formula
- C8H12O5
- Molecular Mass
- 188.18 g/mol
Identifiers
CAS Registry Number
30725-00-9
SMILES
CC1(C)O[C@@H]2[C@@H](CO)OC(=O)[C@@H]2O1
InChI Key
NHHKFJCWLPPNCN-HSUXUTPPSA-N
InChI
InChI=1S/C8H12O5/c1-8(2)12-5-4(3-9)11-7(10)6(5)13-8/h4-6,9H,3H2,1-2H3/t4-,5-,6-/m1/s1
Names and Synonyms
- 2,3-O-Isopropylidene-D-Ribonolactone Synonym
- D-Ribonic acid, 2,3-O-(1-methylethylidene)-, γ-lactone Synonym
- Ribonic acid, 2,3-O-isopropylidene-, γ-lactone, D- Synonym
- Ribonic acid, 2,3-O-isopropylidene-, γ-lactone Synonym
- Furo[3,4-d]-1,3-dioxole, D-ribonic acid deriv. Synonym
- 2,3-O-Isopropylidene-D-ribonolactone Synonym
- 2,3-O-Isopropylidene-D-ribono-1,4-lactone Synonym
- 2,3-O,O′-Isopropylidene-D-ribono-1,4-lactone Synonym
- 2,3-Isopropylidene(D-ribonolactone) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 188.18 g/mol | CAS Common Chemistry |
| 188.17899999999997 g/mol | RDKit | |
| 188.179 g/mol | RDKit | |
| Canonical SMILES | O=C1OC(CO)C2OC(OC12)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H12O5/c1-8(2)12-5-4(3-9)11-7(10)6(5)13-8/h4-6,9H,3H2,1-2H3/t4-,5-,6-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=NHHKFJCWLPPNCN-HSUXUTPPSA-N | CAS Common Chemistry |
| Melting Point | 138-139 °C | CAS Common Chemistry |
| Name | 2,3-O-Isopropylidene-D-ribonolactone | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 64.99 Ų | RDKit |
| LogP | -0.5758000000000001 | RDKit |
| -0.5758 | RDKit | |
| Molar Refractivity | 40.79080000000001 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.875 | RDKit |
| 0.88 | chempirical lib | |
| Exact Mass | 188.068473484 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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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 = 188.18 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H12O5.
