chempirical

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

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

Weigh it out

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

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

Similar compounds

Penta-O-acetyl-α-D-galactopyranose4163-59-191 % similar β-D-Galactose pentaacetate4163-60-491 % similar α-D-Mannose pentaacetate4163-65-991 % similar Penta-O-acetyl-α-D-glucopyranose604-68-291 % similar β-D-Glucose pentaacetate604-69-391 % similar Glucose pentaacetate83-87-491 % similar 1,2,3,5-Tetra-O-acetyl-β-D-ribofuranose13035-61-588 % similar 1,2,3,5-Tetra-O-acetyl--L-ribofuranose144490-03-988 % similar

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

Same formula

Sucrose octaacetate126-14-7 α-D-Cellobiose octaacetate5346-90-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook