Octaacetyl-β-maltose

C28H38O19CAS 22352-19-8678.59 g/mol

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AcetalEsterEther

Properties

Molecular formula
C28H38O19
Molar mass
678.59 g/mol
Exact mass
678.2007 Da
Melting point
159–160 °C
Boiling point
0.2–5 °C
logP
-0.83Crippen estimate
Polar surface area
238.1 Ų
H-bond donors / acceptors
0 / 19
Rotatable bonds
12
Stereocentres
R, R, R, S, R, S, R, 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
22352-19-8
SMILES
CC(=O)OC[C@H]1O[C@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
InChIKey
WOTQVEKSRLZRSX-QACPWNKNSA-N
InChI
InChI=1S/C28H38O19/c1-11(29)37-9-19-21(39-13(3)31)23(40-14(4)32)26(43-17(7)35)28(46-19)47-22-20(10-38-12(2)30)45-27(44-18(8)36)25(42-16(6)34)24(22)41-15(5)33/h19-28H,9-10H2,1-8H3/t19-,20-,21-,22-,23+,24+,25-,26-,27-,28-/m1/s1

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Names and synonyms

10 names
  • β-D-Glucopyranose, 4-O-(2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl)-, 1,2,3,6-tetraacetate
  • Maltose, octaacetate, β-
  • β-D-Glucopyranose, 4-O-(2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl)-, tetraacetate
  • β-Maltose octaacetate
  • β-D-Maltopyranose octaacetate
  • Octa-O-acetyl-β-D-maltose
  • NSC 1351
  • Octa-O-acetyl-β-maltose
  • β-D-Maltose octaacetate
  • β-Maltose peracetate

Work with Octaacetyl-β-maltose

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Alpha-D-cellobiose octaacetate5346-90-7Diastereomer

Similar compounds

((2R,3S,4S,5R)-3,4,5,6-Tetrakis(acetyloxy)oxan-2-yl)methyl acetate25878-60-891 % similar Penta-O-acetyl-α-D-galactopyranose4163-59-191 % similar β-D-Galactose pentaacetate4163-60-491 % similar α-D-Mannose pentaacetate4163-65-991 % similar Alpha-D-glucose pentaacetate604-68-291 % similar Beta-D-Glucose pentaacetate604-69-391 % similar Glucose pentaacetate83-87-491 % similar 1,2,3,5-Tetra-O-acetyl-β-D-ribofuranose13035-61-588 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Sucrose octaacetate126-14-7

Elsewhere

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