Name: 1,3,5-Tri-O-acetyl-2-deoxy-beta-D-erythro-pentofuranose
SKU: 96291-75-7

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Basic Information

Molecular Structure:
CAS No.:	96291-75-7
Name:	1,3,5-Tri-O-acetyl-2-deoxy-beta-D-erythro-pentofuranose
Article Data:	16

Formula:	C₁₁H₁₆O₇
Molecular Weight:	260.244
Synonyms:	Ribofuranose,2-deoxy-, triacetate, b-D- (6CI);b-D-erythro-Pentofuranose,2-deoxy-, triacetate (9CI);
Density:	1.24 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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Specification

The 1,3,5-Tri-O-acetyl-2-deoxy-beta-D-erythro-pentofuranose, with CAS registry number 96291-75-7, has the systematic name of β-D-erythro-pentofuranose, 2-deoxy-, triacetate. And the chemical formula of this chemical is C₁₁H₁₆O₇.

Physical properties about this chemical are: (1)ACD/LogP: 0.07; (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; (6)ACD/BCF (pH 7.4): 1; (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: 1.466; (14)Molar Refractivity: 58.17 cm³; (15)Molar Volume: 209.6 cm³; (16)Polarizability: 23.06×10^-24cm³; (17)Surface Tension: 41.3 dyne/cm; (18)Enthalpy of Vaporization: 57.18 kJ/mol; (19)Vapour Pressure: 0.000179 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)OC[C@@H]1[C@H](C[C@@H](O1)OC(=O)C)OC(=O)C
(2)InChI: InChI=1/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)InChIKey: QAGMBTAACMQRSS-HBNTYKKEBH
(4)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
(5)Std. InChIKey: QAGMBTAACMQRSS-HBNTYKKESA-N