Basic information
- CAS
81129-73-9- Standard SMILES
OC[C@H]1O[C@@]2(CO[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O2)[C@@H](O)[C@@H]1O- InChIKey
KSRQDWNGXKYIDO-TWOHWVPZSA-N- Molecular formula
- C12H20O10
- Average molar mass
- 324.28 g/mol
- Monoisotopic mass
- 324.10564683
Overview
Alpha-D-fructofuranose-beta-D-fructofuranose 2',1:2,3'-dianhydride is a sugar dianhydride. It is functionally related to a beta-D-fructofuranose and an alpha-D-fructofuranose.
Names & identifiers
- Preferred name
- difructose anhydride III
- IUPAC
- (2R,3'S,4'S,4aR,5'R,6R,7R,7aS)-4a,5',6-tris(hydroxymethyl)spiro[3,6,7,7a-tetrahydrofuro[2,3-b][1,4]dioxine-2,2'-oxolane]-3',4',7-triol
- English name
- Difructose anhydride III
- Molecular formula
- C12H20O10
- Molecular weight
- 324.28
Names & synonyms
Difructose anhydride III81129-73-9Dfa IIIbeta-2,1'-alpha-2',3-Difructofuranose anhydride(2R,3'S,4'S,4aR,5'R,6R,7R,7aS)-4a,5',6-tris(hydroxymethyl)spiro[3,6,7,7a-tetrahydrofuro[2,3-b][1,4]dioxine-2,2'-oxolane]-3',4',7-triol(2R,3'S,4'S,4aR,5'R,6R,7R,7aS)-4a,5',6-tris(hydroxymethyl)spiro(3,6,7,7a-tetrahydrofuro(2,3-b)(1,4)dioxine-2,2'-oxolane)-3',4',7-triolRefChem:133607alpha-D-fructofuranose-beta-D-fructofuranose 2',1:2,3'-dianhydride(2R,3S,4S,4a'R,5R,6'R,7'R,7a'S)-4a',5,6'-Tris(hydroxymethyl)hexahydro-3H,3'H-spiro[furan-2,2'-furo[2,3-b][1,4]dioxine]-3,4,7'-triolDFA III; Difructose III; Twintose(2R,3'S,4'S,4aR,5'R,6R,7R,7aS)-4a,5',6-tris(hydroxymethyl)spiro[3,6,7,7a-tetrahydrofuro[2,3-b][1,4]dioxine-2,2'-oxolane ]-3',4',7-triol9F3
Show more names
DIFRUCTOSE ANHYDRIDEDifructose anhydride Ⅲα-D-Fructofuranose β-D-fructofuranose 1,2':2,3'-dianhydride
]-3',4',7-triolSCHEMBL17931797CHEBI:192285Di-D-fructofuranose 1,2':2,3'-dianhydrideC04420(2R,3'S,4'S,4aR,5'R,6R,7R,7aS)-4a,5',6-tris(hydroxymethyl)spiro[3,6,7,7a-tetrahydrofuro[2,3-b][1,4]dioxine-2,2'-oxolane
Properties
Computed structural properties
- XLogP
- -3.7
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 421
Physicochemical properties
- Melting point
- 163 · 163-164 °C
- Boiling point
- 692.5 · 692.5±55.0 °C(Predicted)
- alpha
- 20 · [α]D20 +135～+139° (c=1, H2O)
- Density
- 1.75 · 1.75±0.1 g/cm3(Predicted)
- pka
- 12.9 · 12.90±0.70(Predicted)
Chemistry & industry
Suppliers8 total
北京秦岭医药科技有限公司010-61241352 18901327973 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
西安莱茵生物科技有限公司86-(0)29-85992781 17792393971 · [email protected]
Novachemistry44-20819178-90 02081917890 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
TopScience Biochemical00852-68527855 · [email protected]
Additional notes
DefinitionChEBI: Alpha-D-fructofuranose-beta-D-fructofuranose 2',1:2,3'-dianhydride is a sugar dianhydride. It is functionally related to a beta-D-fructofuranose and an alpha-D-fructofuranose.
Related reactions
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Compound notes
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