Sucrose acetate isobutyrate

CAS Registry Number®

126-13-6

CAS Name

Sucrose acetate isobutyrate

Molecular Formula

C40H62O19

Molecular Mass

846.91

Cite this Page

Sucrose acetate isobutyrate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=126-13-6 (retrieved 2024-11-22) (CAS RN: 126-13-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Density (1)

    1.146 g/cm³ @ Temp: 25 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C40H62O19/c1-18(2)33(43)51-17-40(32(57-38(48)23(11)12)29(54-35(45)20(5)6)27(58-40)16-50-25(14)42)59-39-31(56-37(47)22(9)10)30(55-36(46)21(7)8)28(53-34(44)19(3)4)26(52-39)15-49-24(13)41/h18-23,26-32,39H,15-17H2,1-14H3/t26-,27-,28-,29-,30+,31-,32+,39-,40+/m1/s1

InChIKey

InChIKey=ZNEBZIJCDDCNRC-SWTLDUCYSA-N

SMILES

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

Canonical SMILES

O=C(OCC1OC(OC2(OC(COC(=O)C)C(OC(=O)C(C)C)C2OC(=O)C(C)C)COC(=O)C(C)C)C(OC(=O)C(C)C)C(OC(=O)C(C)C)C1OC(=O)C(C)C)C

Other Names for this Substance

  • α-D-Glucopyranoside, 6-O-acetyl-1,3,4-tris-O-(2-methyl-1-oxopropyl)-β-D-fructofuranosyl, 6-acetate 2,3,4-tris(2-methylpropanoate)
  • Sucrose, diacetate hexaisobutyrate
  • Isobutyric acid, hexaester with sucrose diacetate
  • Sucrose acetate isobutyrate
  • SAIB

View All

Deleted or Replaced CAS Registry Numbers

1338-47-2

CAS INSIGHTSTM
Targeted protein degrader structure, illustration