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Molecule
Erythritan
CAS: 4358-64-9 · C4H8O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 4358-64-9
- Molecular Formula
- C4H8O3
- Molecular Mass
- 104.10 g/mol
Identifiers
CAS Registry Number
4358-64-9
SMILES
O[C@@H]1COC[C@@H]1O
InChI Key
SSYDTHANSGMJTP-ZXZARUISNA-N
InChI
InChI=1/C4H8O3/c5-3-1-7-2-4(3)6/h3-6H,1-2H2/t3-,4+
Names and Synonyms
- Erythritan Synonym
- 3,4-Furandiol, tetrahydro-, (3R,4S)-rel- Synonym
- Erythritol, 1,4-anhydro- Synonym
- 3,4-Furandiol, tetrahydro-, cis- Synonym
- rel-(3R,4S)-Tetrahydro-3,4-furandiol Synonym
- Erythritan Synonym
- cis-3,4-Dihydroxyoxolane Synonym
- cis-Tetrahydrofuran-3,4-diol Synonym
- cis-3,4-Dihydroxytetrahydrofuran Synonym
- Erythritol-1,4-anhydride Synonym
- cis-Oxolane-3,4-diol Synonym
- (3S,4R)-Tetrahydrofuran-3,4-diol Synonym
- meso-3,4-Dihydroxytetrahydrofuran Synonym
- (3R,4S)-Tetrahydrofuran-3,4-diol Synonym
- (3R,4S)-Tetrahydro-3,4-furandiol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 104.10 g/mol | CAS Common Chemistry |
| 104.10499999999999 g/mol | RDKit | |
| 104.105 g/mol | RDKit | |
| Density | 1.38 g/cm³ | CAS Common Chemistry |
| 1.38 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | OC1COCC1O | CAS Common Chemistry |
| InChI | InChI=1/C4H8O3/c5-3-1-7-2-4(3)6/h3-6H,1-2H2/t3-,4+ | CAS Common Chemistry |
| InChI Key | InChIKey=SSYDTHANSGMJTP-ZXZARUISNA-N | CAS Common Chemistry |
| Melting Point | 20 °C | CAS Common Chemistry |
| Name | Erythritan | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 49.69 Ų | RDKit |
| LogP | -1.2616 | RDKit |
| Molar Refractivity | 22.832599999999992 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 104.047344116 g/mol | RDKit |
| Boiling Point | 160-165 °C @ 0.17 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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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 = 104.10 g/mol; density = 1.380 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H8O3.
