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2-C-Methyl-D-ribofuranose tetraacetate

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Name

2-C-Methyl-D-ribofuranose tetraacetate

EINECS N/A
CAS No. 306960-25-8 Density 1.269 g/cm3
PSA 114.43000 LogP 0.09100
Solubility N/A Melting Point N/A
Formula C14H20O9 Boiling Point 388.414 °C at 760 mmHg
Molecular Weight 332.30 Flash Point 168.589 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 306960-25-8 ((3R,4R,5R)-5-(acetoxymethyl)-3-methyltetrahydrofuran-2,3,4-triyl triacetate) Hazard Symbols N/A
Synonyms

(3R,4R,5R)-5-(acetoxymethyl)-3-methyltetrahydrofuran-2,3,4-triyl triacetate;

 

2-C-Methyl-D-ribofuranose tetraacetate 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

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