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Basic information
- CAS
20880-92-6- Standard SMILES
CC1(C)OC2COC3(CO)OC(C)(C)OC3C2O1- InChIKey
PSSHGMIAIUYOJF-UHFFFAOYSA-N- Molecular formula
- C12H20O6
- Average molar mass
- 260.28 g/mol
- Monoisotopic mass
- 260.12598835
Names & identifiers
- Preferred name
- Fructopyranose, 2,3:4,5-di-O-isopropylidene-, beta-D-
- IUPAC
- (4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl)methanol
- English name
- Diacetonefructose
- Molecular formula
- C12H20O6
- Molecular weight
- 260.28
Names & synonyms
MFCD00022183NSC407023SCHEMBL14302975PSSHGMIAIUYOJF-UHFFFAOYSA-NAS-13121Fructopyranose,3:4,5-di-O-isopropylidene-, .beta.-D-Fructopyranose, 2,3:4,5-di-O-isopropylidene-, .beta.-D-.beta.-D-Fructopyranose,3:4,5-bis-O-(1-methylethylidene)-(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl)methanolDIACETONE FRUCTOSE2,3:4,5-Di-O-isopropylidene-β-D-fructopyranose2,3:4,5-DI-O-ISOPROPYLIDENE-BETA-D-FRUCTOPYRANOSE
Show more names
2,3:4,5-Bis-O-(1-Methylethylidene)-β-D-fructopyranoseTopiramate Related Compound A (25 mg) (2,3:4,5-Bis-O-(1-methylethylidene)-beta-D-fructopyranose)NSC 407023FructodiacetoneDiacetonefruCLoseDiacetone frucoseFructose diacetone
Database identifiers
Properties
Computed structural propertiesFilling in
- XLogP
- -0.3
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 354
Physicochemical properties
- Melting point
- 94 · 94-95°C
- Boiling point
- 332.6 · 332.6±37.0 °C(Predicted)
- Density
- 1.181 · 1.181±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- solubility
- Soluble in chloroform, ethyl acetate, methanol.
- pka
- 14.63 · 14.63±0.10(Predicted)
- form
- Powder
- color
- White
- Major Application
- pharmaceutical (small molecule)
- InChI
- InChI=1/C12H20O6/c1-10(2)15-7-5-14-12(6-13)9(8(7)16-10)17-11(3,4)18-12/h7-9,13H,5-6H2,1-4H3/t7-,8-,9+,12+/s3
- InChIKey
- PSSHGMIAIUYOJF-APOZVJGGSA-N
- SMILES
- [C@]12(CO)OC(C)(C)O[C@H]1[C@@H]1OC(C)(C)O[C@@H]1CO2 |&1:0,8,9,15,r|
- CAS DataBase Reference
- 20880 · 20880-92-6(CAS DataBase Reference)
- FDA UNII
- 9 F5005S8 · SQ9F5005S8
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- hs_code
- 29400090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses2,3:4,5-Di-O-isopropylidene-beta-D-fructopyranose is used as chiral auxiliaries in Michael and Aldol addition reactions.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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