Detail of "4049-33-6"

CAS Number:
4049-33-6
Name:
b-D-Xylopyranose,1,2,3,4-tetraacetate
Molecular Structure:
Formula:
C₁₃H₁₈O₉
Molecular Weight:
318.2766
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;
Density:
1.29 g/cm³
Boiling Point:
362.9 °C at 760 mmHg
Flash Point:
157 °C

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1,2,3,4-Tetra-O-acetyl-: 1,2,3,4-Tetra-O-acetyl-.beta.-D-xylopyranose, C13H18O9. James, V. J.; Nimgirawath, K.; Stevens, J. D. (Sch. Phys., Univ. New South Wales, Kensington, Aust.). Cryst. Struct. 4049-33-6 is the cas registry number. This chemical is also mentioned in this article. Commun., 5(4), 851-6 (English) 1976. CODEN: CSCMCS. DOCUMENT TYPE: Journal CA Section: 75 (Crystallization and Crystal Structure) Section cross-reference(s): 33 The structure of the title compd. was detd. by x-ray diffraction. The compd. is monoclinic, space group P21, with a 21.804(4), b 7.374(2), c 5.736(2).degree., and .beta. 117.56(5).degree.; d.(exptl.) = 1.25 and d.(calcd.) = 1.29 for Z = 2. The structure was solved by direct methods and refined using full-matrix least squares to R = 0.036 for all reflections. The 6-membered ring has chair conformation. Ring torsional angles show a spread of 15.9.degree. and an av. magnitude of 57.0.degree.. The pyranose ring is distorted by flattening in the C(2), C(3), C(4) region and puckering in the C(1), O(5), C(5) region. .