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306960-25-8

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Basic Information
CAS No.: 306960-25-8
Name: (3R,4R,5R)-5-(acetoxymethyl)-3-methyltetrahydrofuran-2,3,4-triyl triacetate
Molecular Structure:
Molecular Structure of 306960-25-8 ((3R,4R,5R)-5-(acetoxymethyl)-3-methyltetrahydrofuran-2,3,4-triyl triacetate)
Formula: C14H20O9
Molecular Weight: 332.30
Synonyms: (3R,4R,5R)-5-(acetoxymethyl)-3-methyltetrahydrofuran-2,3,4-triyl triacetate;
Density: 1.269 g/cm3
Boiling Point: 388.414 °C at 760 mmHg
Flash Point: 168.589 °C
PSA: 114.43000
LogP: 0.09100
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Specification

The systematic name of 2-C-Methyl-D-ribofuranose tetraacetate is 1,2,3,5-tetra-O-acetyl-2-C-methyl-D-ribofuranose. With the CAS registry number 306960-25-8, it is also named as (3R,4R,5R)-5-(acetoxymethyl)-3-methyltetrahydrofuran-2,3,4-triyl triacetate. In addition, its molecular formula is C14H20O9 and its molecular weight is 332.30.

The other characteristics of 2-C-Methyl-D-ribofuranose tetraacetate can be summarized as: (1)ACD/LogP: 0.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 6; (6)ACD/BCF (pH 7.4): 6; (7)ACD/KOC (pH 5.5): 130; (8)ACD/KOC (pH 7.4): 130; (9)H bond acceptors: 9; (10)H bond donors: 0; (11)Freely Rotating Bonds: 9; (12)Polar Surface Area: 114.43 Å2; (13)Index of Refraction: 1.476; (14)Molar Refractivity: 73.935 cm3; (15)Molar Volume: 261.905 cm3; (16)Polarizability: 29.31×10-24cm3; (17)Surface Tension: 43.808 dyne/cm; (18)Density: 1.269 g/cm3; (19)Flash Point: 168.589 °C; (20)Enthalpy of Vaporization: 63.761 kJ/mol; (21)Boiling Point: 388.414 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(OC1O[C@@H]([C@@H](OC(=O)C)[C@]1(OC(=O)C)C)COC(=O)C)C
(2)InChI:InChI=1/C14H20O9/c1-7(15)19-6-11-12(20-8(2)16)14(5,23-10(4)18)13(22-11)21-9(3)17/h11-13H,6H2,1-5H3/t11-,12-,13,14-/m1/s1
(3)InChIKey:RVXADQSOQHONLK-MVWAYNQEBX
(4)Std. InChI:InChI=1S/C14H20O9/c1-7(15)19-6-11-12(20-8(2)16)14(5,23-10(4)18)13(22-11)21-9(3)17/h11-13H,6H2,1-5H3/t11-,12-,13,14-/m1/s1
(5)Std. InChIKey:RVXADQSOQHONLK-MVWAYNQESA-N