1F-Fructofuranosylnystose

C30H52O26CAS 59432-60-9828.72 g/mol

Open in Covalent MOL file
OOOHOHOOHOOHOOHOHOOOHOHHOOOOHOHOHOHOHOHOHOH
AcetalAlcoholEther

Properties

Molecular formula
C30H52O26
Molar mass
828.72 g/mol
Exact mass
828.2747 Da
logP
-11.92Crippen estimate
Polar surface area
427.0 Ų
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

Not classified as hazardous under GHS. Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

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

Weigh it out

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

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