chempirical

Maltoheptaose

C42H72O36CAS 34620-78-51153.00 g/mol

Open in Covalent MOL file
OOHHOOOHOOOHOOOHOOOHOOOHOOOHOHOHOOHHOHOHOOHHOHOHOOHHOHOHOOH
AcetalAlcoholAldehydeEther

Properties

Molecular formula
C42H72O36
Molar mass
1153.00 g/mol
Exact mass
1152.3803 Da
logP
-16.43Crippen estimate
Polar surface area
593.1 Ų
H-bond donors / acceptors
23 / 36
Rotatable bonds
23
Stereocentres
R, R, R, R, R, S, 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, R, R, Rin SMILES atom order

Identifiers

CAS number
34620-78-5
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]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[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
ZHZITDGOAFCURV-VVTKTIMZSA-N
InChI
InChI=1S/C42H72O36/c43-1-9(51)17(53)31(10(52)2-44)73-38-26(62)20(56)33(12(4-46)68-38)75-40-28(64)22(58)35(14(6-48)70-40)77-42-30(66)24(60)36(16(8-50)72-42)78-41-29(65)23(59)34(15(7-49)71-41)76-39-27(63)21(57)32(13(5-47)69-39)74-37-25(61)19(55)18(54)11(3-45)67-37/h1,9-42,44-66H,2-8H2/t9-,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+,37+,38+,39+,40+,41+,42+/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)-O-α-D-glucopyranosyl-(1→4)-O-α-D-glucopyranosyl-(1→4)-D-glucose
  • Amyloheptaose

Work with Maltoheptaose

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 Maltohexaose34620-77-4100 % 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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