1F-Fructofuranosylnystose

C₃₀H₅₂O₂₆CAS 59432-60-9828.72 g/mol

Open in Covalent MOL file

Acetal Alcohol Ether

Properties

Molecular formula: C₃₀H₅₂O₂₆
Molar mass: 828.72 g/mol
Exact mass: 828.2747 Da
logP: -11.92Crippen estimate
Polar surface area: 427.0 Å²
H-bond donors / acceptors: 17 / 26
Rotatable bonds: 17
Stereocentres: R, S, S, R, R, S, S, S, R, R, S, S, R, R, S, S, R, R, S, S, 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

59432-60-9

SMILES

C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO[C@]4([C@H]([C@@H]([C@H](O4)CO)O)O)CO[C@]5([C@H]([C@@H]([C@H](O5)CO)O)O)CO)O)O)O)O

InChIKey

QNTKVQQLMHZOKP-NEJDVEAASA-N

InChI

InChI=1S/C30H52O26/c31-1-10-15(37)20(42)21(43)26(51-10)56-30(25(47)19(41)14(5-35)55-30)9-50-29(24(46)18(40)13(4-34)54-29)8-49-28(23(45)17(39)12(3-33)53-28)7-48-27(6-36)22(44)16(38)11(2-32)52-27/h10-26,31-47H,1-9H2/t10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20+,21-,22+,23+,24+,25+,26-,27-,28-,29-,30+/m1/s1

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Work with 1F-Fructofuranosylnystose

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

Nystose13133-07-8100 % similar Fructoheptasaccharide62512-20-3100 % similar Kestose470-69-998 % similar Sucrose57-50-180 % similar Raffinose512-69-670 % similar Stachyose tetrahydrate10094-58-366 % similar D-Raffinose pentahydrate17629-30-066 % similar Epichlorohydrin-sucrose copolymer26873-85-863 % similar

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

Same formula

Maltopentaose34620-76-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook