CAS No.4049-33-6,1,2,3,4-TETRA-O-ACETYL-BETA-D-XYLOPYRANOSE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4049-33-6
Name:	1,2,3,4-TETRA-O-ACETYL-BETA-D-XYLOPYRANOSE
Article Data:	85

Formula:	C₁₃H₁₈O₉
Molecular Weight:	318.281
Synonyms:	Xylopyranose,tetraacetate, b-D-(8CI);b-D-Xylopyranose, tetraacetate(9CI);1,2,3,4-Tetra-O-acetyl-b-D-xylopyranose;1,2,3,4-Tetra-O-acetyl-b-D-xylose;NSC 116265;Tetra-O-acetyl-b-D-xylopyranose;Tri-O-acetyl-b-D-xylopyranose;
EINECS:	200-258-5
Density:	1.29 g/cm³
Melting Point:	123-125 °C
Boiling Point:	362.9 °C at 760 mmHg
Flash Point:	157 °C
PSA:	114.43000
LogP:	-0.29910

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Specification

The b-D-Xylopyranose,1,2,3,4-tetraacetate, with the CAS registry number 4049-33-6, is also known as 1,2,3,4-Tetra-O-acetyl-b-D-xylose and Xylopyranose,tetraacetate, b-D-(8CI). This chemical's molecular formula is C₁₃H₁₈O₉ and molecular weight is 318.2766. What's more, its IUPAC name is [(4S,6S)-4,5,6-Triacetyloxyoxan-3-yl] acetate.

Physical properties about b-D-Xylopyranose,1,2,3,4-tetraacetate are: (1) ACD/LogP: 1.21; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 9; (4) #H bond donors: 0; (5) #Freely Rotating Bonds: 8; (6) Polar Surface Area: 114.43 Å²; (7) Index of Refraction: 1.475; (8) Molar Refractivity: 69.27 cm³; (9) Molar Volume: 245.8 cm³; (10) Polarizability: 27.46×10^-24cm³; (11) Surface Tension: 44.5 dyne/cm; (12) Density: 1.29 g/cm³; (13) Flash Point: 157 °C; (14) Enthalpy of Vaporization: 60.89 kJ/mol; (15) Boiling Point: 362.9 °C at 760 mmHg; (16) Vapour Pressure: 1.87E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O[C@H]1[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)OC1)C
(2) InChI: InChI=1/C13H18O9/c1-6(14)19-10-5-18-13(22-9(4)17)12(21-8(3)16)11(10)20-7(2)15/h10-13H,5H2,1-4H3/t10-,11+,12-,13+/m1/s1
(3) InChIKey: MJOQJPYNENPSSS-XQHKEYJVBK