β-D-Glucopyranosyl bromide, 4-O-(2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl)-, 2,3,6-triacetate

CAS Registry Number®

68682-05-3
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CAS Name

β-D-Glucopyranosyl bromide, 4-O-(2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl)-, 2,3,6-triacetate

Molecular Formula

C26H35BrO17

Molecular Mass

699.45

Cite this Page

β-D-Glucopyranosyl bromide, 4-O-(2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl)-, 2,3,6-triacetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=68682-05-3 (retrieved 2024-08-22) (CAS RN: 68682-05-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    113 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C26H35BrO17/c1-10(28)35-8-17-20(21(38-13(4)31)23(25(27)42-17)40-15(6)33)44-26-24(41-16(7)34)22(39-14(5)32)19(37-12(3)30)18(43-26)9-36-11(2)29/h17-26H,8-9H2,1-7H3/t17-,18-,19-,20-,21+,22+,23-,24-,25-,26-/m1/s1

InChIKey

InChIKey=NLFHLQWXGDPOME-PCIRLDFKSA-N

SMILES

O([C@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](Br)O[C@@H]1COC(C)=O)[C@@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O2

Canonical SMILES

O=C(OCC1OC(OC2C(OC(Br)C(OC(=O)C)C2OC(=O)C)COC(=O)C)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)C

Other Names for this Substance

  • β-D-Glucopyranosyl bromide, 4-O-(2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl)-, 2,3,6-triacetate
  • β-D-Glucopyranosyl bromide, 4-O-(2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl)-, triacetate
  • 2,3,6-Tri-O-acetyl-4-O-(2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl)-β-D-glucopyranosyl bromide