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Arabinose
CAS: 20235-19-2 | C5H10O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
20235-19-2
Molecular Formula:
C5H10O5
Molecular Weight:
150.12999999999997 g/mol
Names and Synonyms:
Arabinose
Arabinose
DL-Arabinose
dl-Arabinose
(±)-Arabinose
Identifiers:
SMILES:
O=C[C@H](O)[C@@H](O)[C@@H](O)CO
InChI:
InChI=1/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4-,5+/s2
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 150.13 g/mol | Legacy Database |
| density | 1.61 g/cm³ | Legacy Database |
| cas-canonical-smile | O=CC(O)C(O)C(O)CO None | Legacy Database |
| cas-density | 1.609 g/cm3 @ Temp: -5 °C None | Legacy Database |
| cas-inchi | InChI=1/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4-,5+/s2 None | Legacy Database |
| cas-inchi-key | InChIKey=PYMYPHUHKUWMLA-PCZRLLORNA-N None | Legacy Database |
| cas-melting-point | 158.5 °C None | Legacy Database |
| cas-name | Arabinose None | Legacy Database |
| LogP | -2.7397000000000005 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 150.12999999999997 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 150.05282342 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 5 count | RDKit |
| Hydrogen Bond Donors | 4 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 4 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 97.99000000000001 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 31.170199999999987 | RDKit |
