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CAS No.: | 57066-79-2 |
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Name: | Oxane-2,3,4,5-tetrol |
Molecular Structure: | |
Formula: | C5H10O5 |
Molecular Weight: | 150.1299 |
Density: | 1.757g/cm3 |
Boiling Point: | 333.2 °C at 760 mmHg |
Flash Point: | 155.3 °C |
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The Oxane-2,3,4,5-tetrol, with CAS registry number 57066-79-2, has the systematic name of pentopyranose. Besides this, it is also called Tetrahydro-2H-pyran-2,3,4,5-tetrol. Its molecular weight is 150.1299. And the chemical formula of this chemical is C5H10O5.
Physical properties of Oxane-2,3,4,5-tetrol: (1)ACD/LogP: -0.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.83; (4)ACD/LogD (pH 7.4): -0.83; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 8.46; (8)ACD/KOC (pH 7.4): 8.46; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 46.15 Å2; (13)Index of Refraction: 1.646; (14)Molar Refractivity: 31.02 cm3; (15)Molar Volume: 85.4 cm3; (16)Polarizability: 12.29×10-24cm3; (17)Surface Tension: 75.3 dyne/cm; (18)Density: 1.757 g/cm3; (19)Flash Point: 155.3 °C; (20)Enthalpy of Vaporization: 66.74 kJ/mol; (21)Boiling Point: 333.2 °C at 760 mmHg; (22)Vapour Pressure: 9.92E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC1C(O)COC(O)C1O
(2)InChI: InChI=1/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2
(3)InChIKey: SRBFZHDQGSBBOR-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2
(5)Std. InChIKey: SRBFZHDQGSBBOR-UHFFFAOYSA-N