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| CAS No.: | 62211-93-2 |
|---|---|
| Name: | 1,2,3-Triacetyl-5-deoxy-D-ribose |
| Article Data: | 20 |
| Molecular Structure: | |
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| Formula: | C11H16O7 |
| Molecular Weight: | 260.244 |
| 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; |
| EINECS: | 612-957-7 |
| Density: | 1.23 g/cm3 |
| Melting Point: | 63-64°C |
| Boiling Point: | 315.3 °C at 760 mmHg |
| Flash Point: | 135.7 °C |
| Safety: | 24/25 |
| PSA: | 88.13000 |
| LogP: | 0.15770 |
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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.