Basic information
- CAS
3688-75-3- Standard SMILES
OCC1OC(CO)(OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O)C2O)C(O)C1O- InChIKey
HQFMTRMPFIZQJF-UHFFFAOYSA-N- Molecular formula
- C18H32O16
- Average molar mass
- 504.4 g/mol
- Monoisotopic mass
- 504.16903493
Overview
Neokestose is an oligosaccharide.
Names & identifiers
- Preferred name
- GlyTouCan:G27155FO
- IUPAC
- 2-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-[[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]oxane-3,4,5-triol
- English name
- O-beta-D-fructofuranosyl-(1->6)-beta-D-fructofuranosyl-alpha-D-glucopyranoside
- Molecular formula
- C18H32O16
- Molecular weight
- 504.44
Names & synonyms
RefChem:696372GlyTouCan:G27155FOG27155FO6G-kestotrioseNeo-Kestose2-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-[[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]oxane-3,4,5-triolSCHEMBL29466804CHEBI:175865NS00042340b-D-Fructofuranosyl 6-O-b-D-fructofuranosyl-a-D-glucopyranoside, 8CIO-b-D-Fructofuranosyl-(2->6)-a-D-glucopyranosyl b-D-fructofuranosideO-beta-D-fructofuranosyl-(1->6)-beta-D-fructofuranosyl-alpha-D-glucopyranoside
Show more names
neokestose6G-KestoseEinecs 222-991-0Neokestose / 6G-KestotrioseNew sugar beet trehalose standard sampleβ-D-Fructofuranosyl 6-O-(β-D-fructofuranosyl)-α-D-glucopyranoside2-O-[6-O-(β-D-Fructofuranosyl)-α-D-glucopyranosyl]-β-D-fructofuranoseα-D-Glucopyranoside, β-D-fructofuranosyl O-β-D-fructofuranosyl-(2→6)-O-beta-D-Fructofuranosyl-(2-6)-alpha-D-glucopyranosylfructofuranoside
Properties
Computed structural properties
- XLogP
- -5.5
- Topological polar surface area
- 269 Ų
- Hydrogen bond donors
- 11
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 670
Physicochemical properties
- Boiling point
- 902.9 · 902.9±65.0 °C(Predicted)
- Density
- 1.82 · 1.82±0.1 g/cm3(Predicted)
- pka
- 12.8 · 12.80±0.70(Predicted)
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Suppliers7 total
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陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
上海安谱实验科技股份有限公司18502138905 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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