Sucrose acetate isobutyrate

C40H62O19CAS 126-13-6846.92 g/mol

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AcetalEsterEther

Properties

Molecular formula
C40H62O19
Molar mass
846.92 g/mol
Exact mass
846.3885 Da
Density
1.146 g/mL (at 25 °C)
logP
2.99Crippen estimate
Polar surface area
238.1 Ų
H-bond donors / acceptors
0 / 19
Rotatable bonds
19
Stereocentres
R, S, R, R, R, S, R, S, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
126-13-6
SMILES
CC(=O)OC[C@H]1O[C@@](COC(=O)C(C)C)(O[C@H]2O[C@H](COC(C)=O)[C@@H](OC(=O)C(C)C)[C@H](OC(=O)C(C)C)[C@H]2OC(=O)C(C)C)[C@@H](OC(=O)C(C)C)[C@@H]1OC(=O)C(C)C
InChIKey
ZNEBZIJCDDCNRC-SWTLDUCYSA-N
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

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

13 names · show all
  • 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
  • SAIB
  • Saccharose acetate isobutyrate
  • Sucrose acetoisobutyrate
  • SAIB 100S
  • Sucrose acetate isobutanoate
  • SAIB FG
  • SAIB 100
  • E 444
  • Sustane SAIB MCT
  • Binester SAAB

Work with Sucrose acetate isobutyrate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Sucrose octaacetate126-14-772 % similar ((2R,3S,4S,5R)-3,4,5,6-Tetrakis(acetyloxy)oxan-2-yl)methyl acetate25878-60-848 % similar Penta-O-acetyl-α-D-galactopyranose4163-59-148 % similar β-D-Galactose pentaacetate4163-60-448 % similar α-D-Mannose pentaacetate4163-65-948 % similar Alpha-D-glucose pentaacetate604-68-248 % similar Beta-D-Glucose pentaacetate604-69-348 % similar Glucose pentaacetate83-87-448 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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