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CAS No.: | 14686-88-5 |
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Name: | 3-O-ACETYL-1,2:5,6-DI-O-ISOPROPYLIDENE-ALPHA-D-ERYTHRO-HEX-3-ENOFURANOSE |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C14H20O7 |
Molecular Weight: | 300.309 |
Synonyms: | Furo[2,3-d]-1,3-dioxole, a-D-erythro-hex-3-enofuranose deriv.;a-D-erythro-Hex-3-enofuranose, 1,2:5,6-bis-O-(1-methylethylidene)-, acetate(9CI);D-erythro-Hex-3-enofuranose,1,2:5,6-di-O-isopropylidene-, acetate, a- (8CI); |
Density: | 1.288 g/cm3 |
Boiling Point: | 382.727 °C at 760 mmHg |
Flash Point: | 167.998 °C |
PSA: | 72.45000 |
LogP: | 1.42040 |
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The a-D-erythro-Hex-3-enofuranose,1,2:5,6-bis-O-(1-methylethylidene)-, 3-acetate, also known as 3-O-Acetyl-1,2:5,6-di-o-isopropylidene-alpha-D-erythro-hex-3-enofuranose, is an organic compound with the formula C14H20O7. With the CAS registry number 14686-88-5, its systematic name is [(3aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-yl] acetate.
Physical properties of a-D-erythro-Hex-3-enofuranose,1,2:5,6-bis-O-(1-methylethylidene)-, 3-acetate: (1)ACD/LogP: 2.20; (2)ACD/LogD (pH 5.5): 2.2; (3)ACD/LogD (pH 7.4): 2.2; (4)ACD/BCF (pH 5.5): 27.69; (5)ACD/BCF (pH 7.4): 27.69; (6)ACD/KOC (pH 5.5): 375.004; (7)ACD/KOC (pH 7.4): 375.004; (8)#H bond acceptors: 7; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.519; (11)Molar Refractivity: 70.706 cm3; (12)Molar Volume: 233.098 cm3; (13)Surface Tension: 42.765 dyne/cm; (14)Density: 1.288 g/cm3; (15)Flash Point: 167.998 °C; (16)Enthalpy of Vaporization: 63.117 kJ/mol; (17)Boiling Point: 382.727 °C at 760 mmHg; (18)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)OC1=C(O[C@H]2C1OC(O2)(C)C)C3COC(O3)(C)C
(2)InChI: InChI=1/C14H20O7/c1-7(15)17-10-9(8-6-16-13(2,3)19-8)18-12-11(10)20-14(4,5)21-12/h8,11-12H,6H2,1-5H3/t8?,11?,12-/m1/s1
(3)InChIKey: AOIUJMXBARBXRG-YPXMJKPUBR