chempirical

Xylopentaose

C25H42O21CAS 49694-20-4678.59 g/mol

Open in Covalent MOL file
OOOOHHOOOOHOHOOOHHOOHOOOHOHOHOHOH
AcetalAlcoholAldehydeEther

Properties

Molecular formula
C25H42O21
Molar mass
678.59 g/mol
Exact mass
678.2219 Da
logP
-8.89Crippen estimate
Polar surface area
333.7 Ų
H-bond donors / acceptors
12 / 21
Rotatable bonds
12
Stereocentres
R, S, R, S, R, S, R, R, R, S, R, R, R, S, R, R, R, R, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
49694-20-4
SMILES
C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)O[C@@H]3CO[C@H]([C@@H]([C@H]3O)O)O[C@@H]4CO[C@H]([C@@H]([C@H]4O)O)O[C@H](CO)[C@@H]([C@H](C=O)O)O)O)O)O
InChIKey
PEYKZRBIPFMGGG-RMQOEOBNSA-N
InChI
InChI=1S/C25H42O21/c26-1-7(28)13(30)9(2-27)43-23-19(36)15(32)11(4-40-23)45-25-21(38)17(34)12(6-42-25)46-24-20(37)16(33)10(5-41-24)44-22-18(35)14(31)8(29)3-39-22/h1,7-25,27-38H,2-6H2/t7-,8+,9+,10+,11+,12+,13+,14-,15-,16-,17-,18+,19+,20+,21+,22-,23-,24-,25-/m0/s1

Weigh it out

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

Work with Xylopentaose

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

Manninotriose13382-86-093 % similar Xylobiose6860-47-592 % similar Isomaltose499-40-188 % similar Gentiobiose554-91-688 % similar Melibiose585-99-988 % similar Isomaltitol534-73-664 % similar Isomalt64519-82-064 % similar Cellobiose528-50-762 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook