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| CAS No.: | 6018-27-5 |
|---|---|
| Name: | DL-Arabitol |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C5H12O5 |
| Molecular Weight: | 152.147 |
| Synonyms: | D-threo-pentitol;Arabinitol, L-; |
| Density: | 1.525 g/cm3 |
| Boiling Point: | 494.5 °C at 760 mmHg |
| Flash Point: | 261.9 °C |
| PSA: | 101.15000 |
| LogP: | -2.94630 |
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- Total:12 Page 1 of 1 1
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Specification
The DL-Arabitol, with the CAS registry number 6018-27-5, is also known as Arabinitol, L-. It belongs to the product categories of Arabinose; Biochemistry; Sugar Alcohols; Sugars. This chemical's molecular formula is C5H12O5 and molecular weight is 152.15. What's more, its systematic name is D-threo-pentitol. It should be sealed and stored in dark, cool and dry places.
Physical properties of DL-Arabitol are: (1)ACD/LogP: -3.77; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -3.77; (4)ACD/LogD (pH 7.4): -3.77; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 46.15 Å2; (13)Index of Refraction: 1.57; (14)Molar Refractivity: 32.76 cm3; (15)Molar Volume: 99.7 cm3; (16)Polarizability: 12.98×10-24 cm3; (17)Surface Tension: 89.6 dyne/cm; (18)Density: 1.525 g/cm3; (19)Flash Point: 261.9 °C; (20)Enthalpy of Vaporization: 87.76 kJ/mol; (21)Boiling Point: 494.5 °C at 760 mmHg; (22)Vapour Pressure: 7.47E-12 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: OC[C@@H](O)C(O)[C@H](O)CO
(2)InChI: InChI=1/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4-/m1/s1
(3)InChIKey: HEBKCHPVOIAQTA-QWWZWVQMBW