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| CAS No.: | 7283-09-2 |
|---|---|
| Name: | BETA-D-ALLOSE |
| Molecular Structure: | |
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|
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| Formula: | C6H12O6 |
| Molecular Weight: | 180.158 |
| Synonyms: | D-Allopyranose;β-D-Allopyranose;β-D-Allopyranose ,98%; |
| EINECS: | 219-994-4 |
| Density: | 1.732 g/cm3 |
| Melting Point: | 148-150 °C |
| Boiling Point: | 410.8 °C at 760 mmHg |
| Flash Point: | 202.2 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 110.38000 |
| LogP: | -3.22140 |
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Specification
The β-D-Allose with CAS registry number of 7283-09-2 is also known as D-Allopyranose. The systematic name is β-D-Allopyranose. It belongs to product categories of Aldehydes; Carbohydrates & Derivatives. Its EINECS registry number is 219-994-4. In addition, the formula is C6H12O6 and the molecular weight is 180.16. What's more, this chemical should be stored in cool and dry place.
Physical properties about β-D-Allose are: (1)ACD/LogP: -1.88; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 6; (4)#H bond donors: 5; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 55.38Å2; (7)Index of Refraction: 1.635; (8)Molar Refractivity: 37.25 cm3; (9)Molar Volume: 104 cm3; (10)Polarizability: 14.76×10-24cm3; (11)Surface Tension: 81.7 dyne/cm; (12)Density: 1.732 g/cm3; (13)Flash Point: 202.2 °C; (14)Enthalpy of Vaporization: 76.63 kJ/mol; (15)Boiling Point: 410.8 °C at 760 mmHg; (16)Vapour Pressure: 1.83E-08 mmHg at 25 °C.
When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1. SMILES: O[C@@H]1[C@H](O)[C@H](O[C@@H](O)[C@@H]1O)CO
2. InChI: InChI=1/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4-,5-,6-/m1/s1
3. InChIKey: WQZGKKKJIJFFOK-QZABAPFNBC
4. Std. InChI: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4-,5-,6-/m1/s1
5. Std. InChIKey: WQZGKKKJIJFFOK-QZABAPFNSA-N