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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 Weight:
152.146 g/mol
Names and Synonyms:
Xylitol
Xylitol CM 90
Xivia CM 90
Xylite P
X 0018
Xylitol P
xylo-Pentitol
Eutrit
meso-Xylitol
DL-Xylitol
Fluorette
Xylit XC
C-Xylidex CR 16055
Xylitab 300
Xylisorb 700
Xylisorb 300
Xylitab DC
Xylitab 100
NSC 25283
Xylit
Xylitol C
Xylisorb
Wood sugar alcohol
Kylit
Xyliton
Klinit
Xylite
Xylite (sugar)
Xylitol
Identifiers:
SMILES:
OCC(O)C(O)C(O)CO
InChI:
InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 152.15 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Xylitol | Legacy Database | |
| cas-boiling-point | 216 °C | Legacy Database | |
| cas-canonical-smile | OCC(O)C(O)C(O)CO | Legacy Database | |
| cas-inchi | InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2 | Legacy Database | |
| cas-inchi-key | InChIKey=HEBKCHPVOIAQTA-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 93.5 °C | Legacy Database | |
| cas-name | Xylitol | Legacy Database | |
| wikipedia-name | Xylitol | Legacy Database | |
| LogP | -2.9463000000000004 | RDKit | |
| Molecular | Molecular Weight | 152.146 g/mol | RDKit |
| Exact | Exact Molecular Weight | 152.068473484 g/mol | RDKit |
| Heavy | Heavy Atom Count | 10 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 5 count | RDKit |
| Hydrogen Bond Donors | 5 count | RDKit | |
| Rotatable | Rotatable Bonds | 4 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 101.15 Ų | RDKit |
| Molar | Molar Refractivity | 32.191999999999986 | RDKit |
