1,4:3,6-Dianhydro-D-glucitol diacetate
Basic information
- CAS
13042-38-1- Standard SMILES
CC(=O)OC1COC2C(OC(C)=O)COC12- InChIKey
NEZQWZBCEHOWJS-UHFFFAOYSA-N- Molecular formula
- C10H14O6
- Average molar mass
- 230.21 g/mol
- Monoisotopic mass
- 230.07903816
Names & identifiers
- Preferred name
- 1,4:3,6-Dianhydro-D-glucitol diacetate
- IUPAC
- (6-acetyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) acetate
- English name
- 1,4:3,6-dianhydro-D-glucitol diacetate
- Molecular formula
- C10H14O6
- Molecular weight
- 230.21456
Names & synonyms
1,4:3,6-Dianhydro-D-glucitol diacetateD-Glucitol, 1,4:3,6-dianhydro-, diacetate2,5-di-o-acetyl-1,4:3,6-dianhydrohexitolEINECS 235-916-1SCHEMBL12199932DTXSID20926733NEZQWZBCEHOWJS-UHFFFAOYSA-NIsosorbide acetateIsosorbide DiacetateIsosorbide Impurity 7Isosorbide Impurity 17Isosorbide Dinitrate Impurity 7
Show more names
1,4:3,6-Dianhydro-D-glucitol 2,5-diacetatedi-O-acetyl-2,5 dianhydro-1,4:3,6-D-glucitolD-Glucitol, 1,4:3,6-dianhydro-, 2,5-diacetate(3R,3aR,6S,6aR)-Hexahydrofuro[3,2-b]furan-3,6-diyl diacetate
Database identifiers
- CAS
13042-38-1、89886-74-8- PubChem CID
- 114445
- DTXSID
DTXSID20926733- EC Number
- 235-916-1
- Nikkaji
- J270.208H
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 272
Physicochemical properties
- Melting point
- 60 · 60-61 °C
- Boiling point
- 309.8 · 309.8±42.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- 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
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…