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Molecule
D-Arabitol
CAS: 488-82-4 · C5H12O5
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 488-82-4
- Molecular Formula
- C5H12O5
- Molecular Mass
- 152.15 g/mol
Identifiers
CAS Registry Number
488-82-4
SMILES
OCC(O)C(O)C(O)CO
InChI Key
HEBKCHPVOIAQTA-UHFFFAOYSA-N
InChI
InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2
Names and Synonyms
- D-Arabitol Synonym
- D-Arabinitol Synonym
- Arabinitol, D- Synonym
- D-Arabitol Synonym
- D-(+)-Arabitol Synonym
- (+)-Arabitol Synonym
- NSC 25288 Synonym
- D-Lyxitol Synonym
- D-arabino-Pentitol Synonym
- D-lyxo-Pentitol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 152.15 g/mol | CAS Common Chemistry |
| 152.146 g/mol | RDKit | |
| Canonical SMILES | OCC(O)C(O)C(O)CO | CAS Common Chemistry |
| InChI | InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2 | CAS Common Chemistry |
| InChI Key | InChIKey=HEBKCHPVOIAQTA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 103 °C | CAS Common Chemistry |
| Name | D-Arabitol | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 101.15 Ų | RDKit |
| LogP | -2.9463000000000004 | RDKit |
| -2.9463 | RDKit | |
| Molar Refractivity | 32.191999999999986 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 152.068473484 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 152.15 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H12O5.
