chempirical

Sucrose octaacetate

C28H38O19CAS 126-14-7678.59 g/mol

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AcetalEsterEther

Properties

Molecular formula
C28H38O19
Molar mass
678.59 g/mol
Exact mass
678.2007 Da
Density
1.34 g/mL
Melting point
86.5 °C
Boiling point
0.18–5 °C
logP
-0.83Crippen estimate
Polar surface area
238.1 Ų
H-bond donors / acceptors
0 / 19
Rotatable bonds
13
Stereocentres
R, S, R, R, R, S, R, S, Rin SMILES atom order

Hazards

Not classified as hazardous under GHS by 117 ECHA notifiers. Aggregated from 117 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
126-14-7
SMILES
CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
InChIKey
ZIJKGAXBCRWEOL-SAXBRCJISA-N
InChI
InChI=1S/C28H38O19/c1-12(29)37-9-20-22(40-15(4)32)24(42-17(6)34)25(43-18(7)35)27(45-20)47-28(11-39-14(3)31)26(44-19(8)36)23(41-16(5)33)21(46-28)10-38-13(2)30/h20-27H,9-11H2,1-8H3/t20-,21-,22-,23-,24+,25-,26+,27-,28+/m1/s1

Weigh it out

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

Names and synonyms

9 names
  • α-D-Glucopyranoside, 1,3,4,6-tetra-O-acetyl-β-D-fructofuranosyl, 2,3,4,6-tetraacetate
  • Sucrose, octaacetate
  • α-D-Glucopyranoside, 1,3,4,6-tetra-O-acetyl-β-D-fructofuranosyl, tetraacetate
  • Octaacetyl sucrose
  • 2,3,4,6,1′,3′,4′,6′-Octa-O-acetylsucrose
  • Octa-O-acetylsucrose
  • Saccharose octaacetate
  • NSC 1695
  • Monopet SOA

Work with Sucrose octaacetate

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Sucrose acetate isobutyrate126-13-672 % similar ((2R,3S,4S,5R)-3,4,5,6-Tetrakis(acetyloxy)oxan-2-yl)methyl acetate25878-60-862 % similar Penta-O-acetyl-α-D-galactopyranose4163-59-162 % similar β-D-Galactose pentaacetate4163-60-462 % similar α-D-Mannose pentaacetate4163-65-962 % similar Alpha-D-glucose pentaacetate604-68-262 % similar Beta-D-Glucose pentaacetate604-69-362 % similar Glucose pentaacetate83-87-462 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Octaacetyl-β-maltose22352-19-8 Alpha-D-cellobiose octaacetate5346-90-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia