Back to Search
Molecule
Xylitol
CAS: 87-99-0 · C5H12O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 87-99-0
- Molecular Formula
- C5H12O5
- Molecular Mass
- 152.15 g/mol
Identifiers
CAS Registry Number
87-99-0
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
- Xylitol Common Name
- Xylitol Synonym
- Xylite (sugar) Synonym
- Xylite Synonym
- Klinit Synonym
- Xyliton Synonym
- Kylit Synonym
- Wood sugar alcohol Synonym
- Xylisorb Synonym
- Xylitol C Synonym
- Xylitol CM 90 Synonym
- Xylit Synonym
- NSC 25283 Synonym
- Xylitab 100 Synonym
- Xylitab DC Synonym
- Xylisorb 300 Synonym
- Xylisorb 700 Synonym
- Xylitab 300 Synonym
- C-Xylidex CR 16055 Synonym
- Xylit XC Synonym
- Fluorette Synonym
- DL-Xylitol Synonym
- meso-Xylitol Synonym
- Eutrit Synonym
- xylo-Pentitol Synonym
- Xylitol P Synonym
- X 0018 Synonym
- Xylite P Synonym
- Xivia CM 90 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 | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Xylitol | CAS Common Chemistry |
| Boiling Point | 216 °C | CAS Common Chemistry |
| 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 | 93.5 °C | CAS Common Chemistry |
| Name | Xylitol | 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
Convert
Quick conversion
MW = 152.15 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H12O5.
