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CAS No.: | 4594-52-9 |
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Name: | 1,3,5-Tri-O-acetyl-2-deoxy-D-erythro-pentofuranose |
Article Data: | 16 |
Molecular Structure: | |
Formula: | C11H16O7 |
Molecular Weight: | 260.244 |
Synonyms: | D-erythro-Pentofuranose,2-deoxy-, triacetate (9CI);Ribose, 2-deoxy-, 1,3,5-triacetate (7CI);Ribose,2-deoxy-, 1,3,5-triacetate, D- (8CI);1,3,5-Tri-O-acetyl-2-deoxy-D-ribofuranose;NSC 138278;[5-Acetyloxy-2-(acetyloxymethyl)oxolan-3-yl] acetate; |
Density: | 1.241 g/cm3 |
Boiling Point: | 329.297 °C at 760 mmHg |
Flash Point: | 142.967 °C |
PSA: | 88.13000 |
LogP: | 0.15930 |
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1,3,5-Tri-O-acetyl-2-deoxy-D-erythro-pentofuranose is an organic compound with the formula C11H16O7, and its systematic name is the same with the product name. With the CAS registry number 4594-52-9, it is also named as D-erythro-Pentofuranose,2-deoxy-, triacetate. In addition, the molecular weight is 260.24.
Physical properties about 1,3,5-Tri-O-acetyl-2-deoxy-D-erythro-pentofuranose are: (1)ACD/LogP: 0.074; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.07; (4)ACD/LogD (pH 7.4): 0.07; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 26.14; (8)ACD/KOC (pH 7.4): 26.14; (9)#H bond acceptors: 7; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 88.13 Å2; (13)Index of Refraction: 1.467; (14)Molar Refractivity: 58.178 cm3; (15)Molar Volume: 209.69 cm3; (16)Polarizability: 23.063×10-24cm3; (17)Surface Tension: 41.37 dyne/cm; (18)Density: 1.241 g/cm3; (19)Flash Point: 142.967 °C; (20)Enthalpy of Vaporization: 57.177 kJ/mol; (21)Boiling Point: 329.297 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)OCC1C(CC(O1)OC(=O)C)OC(=O)C
(2)Std. InChI: InChI=1S/C11H16O7/c1-6(12)15-5-10-9(16-7(2)13)4-11(18-10)17-8(3)14/h9-11H,4-5H2,1-3H3/t9-,10+,11?/m0/s1
(3)Std. InChIKey: QAGMBTAACMQRSS-MTULOOOASA-N