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| CAS No.: | 527-50-4 |
|---|---|
| Name: | L-THREO-PENTULOSE |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C5H10O5 |
| Molecular Weight: | 150.131 |
| Synonyms: | L-Lyxulose; |
| Density: | 1.516g/cm3 |
| Boiling Point: | 469.1 °C at 760 mmHg |
| Flash Point: | 251.6 °C |
| PSA: | 90.15000 |
| LogP: | -2.58070 |
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- Total:19 Page 1 of 1 1
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Specification
The L-threo-2-Pentulose, with the CAS registry number 527-50-4, is also known as L-Lyxulose. This chemical's molecular formula is C5H10O5 and molecular weight is 150.1299. What's more, its IUPAC name is called (3R,4S)-1,3,4,5-Tetrahydroxypentan-2-one.
Physical properties about L-threo-2-Pentulose are: (1)ACD/LogP: -1.20; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.2; (4)ACD/LogD (pH 7.4): -1.2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.27; (8)ACD/KOC (pH 7.4): 5.27; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 53.99 Å2; (13)Index of Refraction: 1.545; (14)Molar Refractivity: 31.29 cm3; (15)Molar Volume: 98.9 cm3; (16)Surface Tension: 82 dyne/cm; (17)Density: 1.516 g/cm3; (18)Flash Point: 251.6 °C; (19)Enthalpy of Vaporization: 84.33 kJ/mol; (20)Boiling Point: 469.1 °C at 760 mmHg; (21)Vapour Pressure: 9.02E-11 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(CO)[C@H](O)[C@@H](O)CO
(2) InChI: InChI=1/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h3,5-8,10H,1-2H2/t3-,5+/m0/s1
(3) InChIKey: ZAQJHHRNXZUBTE-WVZVXSGGBC