1,6:3,4-Dianhydro-beta-D-altropyranose
Completing data — refresh the page later to see the latest
Basic information
- CAS
3868-04-0- Standard SMILES
OC1C2OCC(O2)C2OC12- InChIKey
NDCSJPPJAVCLMI-UHFFFAOYSA-N- Molecular formula
- C6H8O4
- Average molar mass
- 144.12 g/mol
- Monoisotopic mass
- 144.04225873
Names & identifiers
- Preferred name
- 1,6:3,4-Dianhydro-beta-D-altropyranose
- IUPAC
- 3,7,9-trioxatricyclo[4.2.1.02,4]nonan-5-ol
- English name
- 1,5:3,4-Dianhydro-D-altropyranose
- Molecular formula
- C6H8O4
- Molecular weight
- 144.13
Names & synonyms
1,6:3,4-Dianhydro-beta-D-altropyranose3868-04-03,7,9-trioxatricyclo[4.2.1.02,4]nonan-5-ol1,6:3,4-Dianhydro-|A-D-altropyranoseSCHEMBL12244344DTXSID903370941,5:3,4-Dianhydro-D-altropyranoseAKOS030242051MD07326b-D-Altropyranose,1,6:3,4-dianhydro-3,7,9-Trioxatricyclo[4.2.1.0~2,4~]nonan-5-ol(1R,2R,4S,5S,6R)-3,7,9-trioxatricyclo[4.2.1.0(2),]nonan-5-ol
Show more names
1,6:3,4-Dianhydro-β-D-altropyranoseReaxys ID: 1680327Reaxys ID: 1680326Reaxys ID: 16803251,6:3,4-Dianhydro-2-D-altropyranoseβ-D-Altropyranose, 1,6:3,4-dianhydro-1,6:3,4-Dianhydro-β-DL-allo-hexopyranose1,6:3,4-Dianhydro-beta-D-altropyranose min. 98%(2R,4R,6R)-3,7,9-trioxatricyclo[4.2.1.0(2,4)]Nonan-5-ol
Database identifiers
- CAS
3868-04-0- PubChem CID
- 538588
- DTXSID
DTXSID90337094
Properties
Computed structural propertiesFilling in
- XLogP
- -1.2
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 171
Physicochemical properties
- Melting point
- 162 · 162-164°C
- Boiling point
- 324.615 · 324.615±37.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.57 · 1.570±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Chloroform, Ethyl Acetate, Methanol
- form
- Solid
- pka
- 14.099 · 14.099±0.20(predicted)
- color
- White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses1,6:3,4-Dianhydro-β-D-altropyranose (cas# 3868-04-0) is a compound useful in organic synthesis.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…