alpha-D-Xylofuranose, 1,2:3,5-bis-O-(1-methylethylidene)-
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Basic information
- CAS
20881-04-3- Standard SMILES
CC1(C)OC[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1- InChIKey
NKZDPBSWYPINNF-BZNPZCIMSA-N- Molecular formula
- C11H18O5
- Average molar mass
- 230.26 g/mol
- Monoisotopic mass
- 230.11542367
Names & identifiers
- Preferred name
- alpha-D-Xylofuranose, 1,2:3,5-bis-O-(1-methylethylidene)-
- IUPAC
- (1S,2R,6R,8R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane
- English name
- 1,2:3,5-Di-O-isopropylidene-alpha-D-xylofuranose
- Molecular formula
- C11H18O5
- Molecular weight
- 230.26
Names & synonyms
20881-04-3alpha-D-Xylofuranose, 1,2:3,5-bis-O-(1-methylethylidene)-DTXSID60174993.alpha.-D-Xylofuranose, 1,2:3,5-bis-O-(1-methylethylidene)-RefChem:318371DTXCID70974841,2:3,5-Di-O-isopropylidene-alpha-D-xylofuranose(1S,2R,6R,8R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane1,2:3,5-Di-O-isopropylidene-a-D-xylofuranoseMFCD000632241,2:3,5-di-O-Isopropylidene-D-xylofuranose1,2:3,5-Di-O-isopropylidene-|A-D-xylofuranose
Show more names
Diacetone xyloseRARECHEM AH BS 0040D-xylose diacetonide1,2:3,5-Di-O-isopropDIACETONE-ALPHA-D-XYLD-xylose diacetonide Diacetone xylose1,2:3,5-Di-O-isopropylidene-alpha-D-xylose
diacetone-d-xylose(3aR,3bS,7aR,8aR)-2,2,5,5-Tetramethyltetrahydro-7H-[1,3]dioxolo[4',5':4,5]furo[3,2-d][1,3]dioxine3,5-Di-O-isopropylidene-alpha-D-xylofuranoseXylofuranose, 1,2:3,5-di-O-isopropylidene-, .alpha.-D-CHEMBL460611orb2940245SCHEMBL7152171TYD-00333
Database identifiers
- CAS
20881-04-3- PubChem CID
- 30337
- DTXSID
DTXSID60174993- ChEMBL
CHEMBL460611- Nikkaji
- J119.161F
Properties
Computed structural propertiesFilling in
- XLogP
- 0.6
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 301
Physicochemical properties
- Melting point
- 42 · 42-46 °C
- Boiling point
- 102 · 102-104 °C (2 mmHg)
- alpha
- 19.5 · 19.5 º (c=4, acetone)
- Density
- 1.2024 · 1.2024 (rough estimate)
- refractive index
- 19 ° · 19 ° (C=3, Acetone)
- Flash point
- 113 °C · >113 °C
- storage temp.
- 0 · 0-6°C
- solubility
- almost transparency in Acetone
- form
- Powder
- color
- White to Off-white
- Water Solubility
- slightly soluble
- InChI
- InChI=1/C11H18O5/c1-10(2)12-5-6-7(14-10)8-9(13-6)16-11(3,4)15-8/h6-9H,5H2,1-4H3/t6-,7+,8-,9-/s3
- InChIKey
- NKZDPBSWYPINNF-VGFFHQQNNA-N
- SMILES
- [C@@H]12OC(OC[C@@H]1O[C@H]1OC(C)(C)O[C@@H]21)(C)C |&1:0,5,7,13,r|
- CAS DataBase Reference
- 20881 · 20881-04-3(CAS DataBase Reference)
- NIST Chemistry Reference
- 1 · «alpha»-D-Xylofuranose, 1,2:3,5-bis-O-(1-methylethylidene)-(20881-04-3)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Safety Statements
- 24 · 24/25
- HS Code
- 29400090 · 29400090
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
- hs_code
- 29400090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses1,2:3,5-Di-O-isopropylidene-alpha-D-xylofuranose is a biochemical reagent that can be used as a biological material or organic compound for life science related research.
Upstream & downstream products
Downstream products
Related reactions
5 records
Compound notes
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