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CAS No.: | 21569-63-1 |
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Name: | 3-deoxypentonic acid |
Molecular Structure: | |
Formula: | C5H10O5 |
Molecular Weight: | 150.129900 |
Synonyms: | Pentonic acid, 3-deoxy-; |
Density: | 1.516 g/cm3 |
Boiling Point: | 488.1 °C at 760 mmHg |
Flash Point: | 263.1 °C |
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The D-threo-Pentonic acid,3-deoxy-, with the CAS registry number of 21569-63-1, is also known as Pentonic acid, 3-deoxy-. This chemical's molecular formula is C5H10O5 and molecular weight is 150.129900. What's more, its IUPAC name is 2,4,5-Trihydroxypentanoic acid.
Physical properties about D-threo-Pentonic acid,3-deoxy- are: (1)ACD/LogP: -1.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.13; (4)ACD/LogD (pH 7.4): -5.4; (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: 4; (11)#Freely Rotating Bonds: 7; (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: 263.1 °C; (19)Enthalpy of Vaporization: 86.89 kJ/mol; (20)Boiling Point: 488.1 °C at 760 mmHg; (21)Vapour Pressure: 1.42E-11 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C(O)CC(O)CO
(2) InChI: InChI=1/C5H10O5/c6-2-3(7)1-4(8)5(9)10/h3-4,6-8H,1-2H2,(H,9,10)
(3) InChIKey: RSKGLBJVIAQRMC-UHFFFAOYAB