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Arabinose
CAS: 147-81-9 | C5H10O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
147-81-9
Molecular Formula:
C5H10O5
Molecular Mass:
150.13 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
Key Properties
Melting Point
158.5 °C
CAS Common Chemistry
Density
1.61 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 150.13 g/mol | CAS Common Chemistry |
| 150.12999999999997 g/mol | RDKit | |
| 150.05282342 g/mol | RDKit | |
| Density | 1.61 g/cm³ | CAS Common Chemistry |
| 1.609 g/cm3 @ Temp: -5 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Arabinose | CAS Common Chemistry |
| Canonical SMILES | O=CC(O)C(O)C(O)CO | CAS Common Chemistry |
| InChI | InChI=1/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4-,5+/s2 | CAS Common Chemistry |
| InChI Key | InChIKey=PYMYPHUHKUWMLA-PCZRLLORNA-N | CAS Common Chemistry |
| Melting Point | 158.5 °C | CAS Common Chemistry |
| Name | Arabinose | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 97.99000000000001 Ų | RDKit |
| LogP | -2.7397000000000005 | RDKit |
| Molar Refractivity | 31.170199999999987 | RDKit |
