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1,2,3-Triacetyl-5-deoxy-D-ribose

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Name

1,2,3-Triacetyl-5-deoxy-D-ribose

EINECS
CAS No. 62211-93-2 Density 1.23 g/cm3
Solubility Melting Point 63-64°C
Formula C11H16O7 Boiling Point 315.3 °C at 760 mmHg
Molecular Weight 260.24 Flash Point 135.7 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 62211-93-2 (1,2,3-Triacetyl-5-deoxy-D-ribose) Hazard Symbols
Synonyms

b-D-Ribofuranose, 5-deoxy-,triacetate (6CI,9CI);1,2,3-Tri-O-acetyl-5-deoxy-b-D-ribofuranose;1,2,3-Triacetyl-5-deoxy-β-D-Ribose;1,2,3-trityl-O-acetyl-D-ribofuranose;1,2,3-Triacetyl-5-deoxy-D-ribose;

 

1,2,3-Triacetyl-5-deoxy-D-ribose Specification

The 1,2,3-Triacetyl-5-deoxy-D-ribose, with the CAS registry number 62211-93-2,is also known as 5-Deoxy-b-D-ribofuranose triacetate. It belongs to the product categories of Carbohydrates & Derivatives;Intermediates;Capecitabine intermediate. This chemical's molecular formula is C11H16O7 and molecular weight is 260.24. What's more,Its systematic name is 1,2,3-Triacetyl-5-deoxy-D-ribose.It is a White Solid and used as intermediate of Capecitabine.

Physical properties about 1,2,3-Triacetyl-5-deoxy-D-ribose are:
(1)ACD/LogP:  0.841; (2)# of Rule of 5 Violations:  0; (3)ACD/LogD (pH 5.5):  0.84; (4)ACD/LogD (pH 7.4):  0.84; (5)ACD/BCF (pH 5.5):  2.57; (6)ACD/BCF (pH 7.4):  2.57; (7)ACD/KOC (pH 5.5):  68.31; (8)ACD/KOC (pH 7.4):  68.31; (9)#H bond acceptors:  7; (10)#H bond donors:  0; (11)#Freely Rotating Bonds:  6; (12)Index of Refraction:  1.465; (13)Molar Refractivity:  58.154 cm3; (14)Molar Volume:  210.302 cm3; (15)Surface Tension:  40.2639999389648 dyne/cm; (16)Density:  1.237 g/cm3; (17)Flash Point:  135.648 °C; (18)Enthalpy of Vaporization:  55.658 kJ/mol; (19)Boiling Point:  315.347 °C at 760 mmHg; (20)Vapour Pressure:  0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:O=C(O[C@@H]1O[C@@H]([C@@H](OC(=O)C)[C@H]1OC(=O)C)C)C;
(2)Std. InChI:InChI=1S/C11H16O7/c1-5-9(16-6(2)12)10(17-7(3)13)11(15-5)18-8(4)14/h5,9-11H,1-4H3/t5-,9-,10-,11+/m1/s1;
(3)Std. InChIKey:NXEJETQVUQAKTO-PRTGYXNQSA-N.

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