Basic information
- CAS
20662-31-1- Standard SMILES
OCC(O)C1OCC(O)C1O- InChIKey
JNYAEWCLZODPBN-UHFFFAOYSA-N- Molecular formula
- C6H12O5
- Average molar mass
- 164.16 g/mol
- Monoisotopic mass
- 164.06847348
Names & identifiers
- Preferred name
- 1,4-Anhydrohexitol
- IUPAC
- 2-(1,2-dihydroxyethyl)oxolane-3,4-diol
Names & synonyms
1,4-AnhydrohexitolDTXSID1086433720662-31-1RefChem:935006GlyTouCan:G75462YUDTXCID201332711G75462YU1,4-Anhydrohexitol #1,4-anhydro-DL-glucitolSCHEMBL800431SCHEMBL1537754JNYAEWCLZODPBN-UHFFFAOYSA-
Show more names
tetrahydro-beta,3,4-trihydroxy-2-furanethanol2-(1,2-dihydroxyethyl)tetrahydrofuran-3,4-diolW-202151InChI=1/C6H12O5/c7-1-3(8)6-5(10)4(9)2-11-6/h3-10H,1-2H2
Database identifiers
- CAS
20662-31-1- PubChem CID
- 552087
- DTXSID
DTXSID10864337
Properties
Computed structural properties
- XLogP
- -2.1
- Topological polar surface area
- 90.2 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 128
Related reactions
2 records
Compound notes
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