chempirical

Maltohexaose

C36H62O31CAS 34620-77-4990.86 g/mol

Open in Covalent MOL file
OOHHOOOHOOOHOOOHOOOHOOOHOHOHOOHHOOHHOOHHOOHHOOHOHOH
AcetalAlcoholAldehydeEther

Properties

Molecular formula
C36H62O31
Molar mass
990.86 g/mol
Exact mass
990.3275 Da
logP
-14.26Crippen estimate
Polar surface area
514.0 Ų
H-bond donors / acceptors
20 / 31
Rotatable bonds
20
Stereocentres
R, R, R, R, R, S, R, R, S, R, R, S, R, R, S, R, R, S, S, R, R, R, R, R, R, R, R, R, Rin SMILES atom order

Identifiers

CAS number
34620-77-4
SMILES
O=C[C@H](O)[C@@H](O)[C@H](O[C@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CO
InChIKey
DJMVHSOAUQHPSN-KZSASMRXSA-N
InChI
InChI=1S/C36H62O31/c37-1-8(44)15(46)27(9(45)2-38)63-33-23(54)18(49)29(11(4-40)59-33)65-35-25(56)20(51)31(13(6-42)61-35)67-36-26(57)21(52)30(14(7-43)62-36)66-34-24(55)19(50)28(12(5-41)60-34)64-32-22(53)17(48)16(47)10(3-39)58-32/h1,8-36,38-57H,2-7H2/t8-,9+,10+,11+,12+,13+,14+,15+,16+,17-,18+,19+,20+,21+,22+,23+,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34+,35+,36+/m0/s1

Weigh it out

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

Names and synonyms

3 names
  • D-Glucose, O-α-D-glucopyranosyl-(1→4)-O-α-D-glucopyranosyl-(1→4)-O-α-D-glucopyranosyl-(1→4)-O-α-D-glucopyranosyl-(1→4)-O-α-D-glucopyranosyl-(1→4)-
  • O-α-D-Glucopyranosyl-(1→4)-O-α-D-glucopyranosyl-(1→4)-O-α-D-glucopyranosyl-(1→4)-O-α-D-glucopyranosyl-(1→4)-O-α-D-glucopyranosyl-(1→4)-D-glucose
  • Amylohexaose

Work with Maltohexaose

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

Maltotriose1109-28-0100 % similar Maltotetraose34612-38-9100 % similar Maltopentaose34620-76-3100 % similar Maltoheptaose34620-78-5100 % similar Cellobiose528-50-793 % similar Lactose63-42-393 % similar Maltose69-79-493 % similar Maltose monohydrate6363-53-786 % similar

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

Elsewhere

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