α-D-Glucopyranoside, 1,3,4,6-tetra-O-acetyl-β-D-fructofuranosyl O-2,3,4,6-tetra-O-acetyl-α-D-galactopyranosyl-(1→6)-, 2,3,4-triacetate

CAS Registry Number®

6424-12-0
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CAS Name

α-D-Glucopyranoside, 1,3,4,6-tetra-O-acetyl-β-D-fructofuranosyl O-2,3,4,6-tetra-O-acetyl-α-D-galactopyranosyl-(1→6)-, 2,3,4-triacetate

Molecular Formula

C40H54O27

Molecular Mass

966.84

Cite this Page

α-D-Glucopyranoside, 1,3,4,6-tetra-O-acetyl-β-D-fructofuranosyl O-2,3,4,6-tetra-O-acetyl-α-D-galactopyranosyl-(1→6)-, 2,3,4-triacetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=6424-12-0 (retrieved 2024-04-20) (CAS RN: 6424-12-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    215-220 °C @ Press: 3 x 10-4 Torr

  • Melting Point (1)

    99 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C40H54O27/c1-16(41)52-12-27-30(56-19(4)44)33(59-22(7)47)35(61-24(9)49)38(64-27)54-13-28-31(57-20(5)45)34(60-23(8)48)36(62-25(10)50)39(65-28)67-40(15-55-18(3)43)37(63-26(11)51)32(58-21(6)46)29(66-40)14-53-17(2)42/h27-39H,12-15H2,1-11H3/t27-,28-,29-,30+,31-,32-,33+,34+,35-,36-,37+,38+,39-,40+/m1/s1

InChIKey

InChIKey=YFYHLVDRBNRNPU-NGOHISGDSA-N

SMILES

O([C@@]1(COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O1)[C@@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](CO[C@@H]3[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)O3)O2

Canonical SMILES

O=C(OCC1OC(OCC2OC(OC3(OC(COC(=O)C)C(OC(=O)C)C3OC(=O)C)COC(=O)C)C(OC(=O)C)C(OC(=O)C)C2OC(=O)C)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)C

Other Names for this Substance

  • α-D-Glucopyranoside, 1,3,4,6-tetra-O-acetyl-β-D-fructofuranosyl O-2,3,4,6-tetra-O-acetyl-α-D-galactopyranosyl-(1→6)-, 2,3,4-triacetate
  • Raffinose, undecaacetate
  • α-D-Glucopyranoside, 1,3,4,6-tetra-O-acetyl-β-D-fructofuranosyl O-2,3,4,6-tetra-O-acetyl-α-D-galactopyranosyl-(1→6)-, triacetate
  • Raffinose hendecaacetate
  • Raffinose peracetate

Deleted or Replaced CAS Registry Numbers

1656986-85-4

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