[4-(Hydroxymethyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-8-yl]methanol
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Basic information
- CAS
5334-20-3- Standard SMILES
OCC1OCOC2C(CO)OCOC12- InChIKey
DLIMVTKZIGEWCB-UHFFFAOYSA-N- Molecular formula
- C8H14O6
- Average molar mass
- 206.19 g/mol
- Monoisotopic mass
- 206.07903816
Names & identifiers
- Preferred name
- [4-(Hydroxymethyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-8-yl]methanol
- IUPAC
- [4-(hydroxymethyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-8-yl]methanol
- English name
- 2,4:3,5-DI-O-METHYLENE-L-IDITOL
- Molecular formula
- C8H14O6
- Molecular weight
- 206.19
Names & synonyms
5334-20-31,3,5,7-Tetraoxadecalin 4,8-dimethanol2,4:3,5-DI-O-METHYLENE-L-IDITOLMLS0026375706945-65-9[4-(hydroxymethyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-8-yl]methanol[2-(hydroxymethyl)-3,5,8,10-tetraoxabicyclo[4.4.0]dec-7-yl]methanolNSC1388CHEMBL18859092,4:3,5-Dimethylene-l-iditolDTXSID80277258DLIMVTKZIGEWCB-UHFFFAOYSA-N
Show more names
L-Iditol, 2,4:3,5-di-O-methylene-
NSC-1388NSC52137NSC-521372,5-DI-O-METHYLENE-L-IDITOLSMR001547101(Tetrahydro-2H,6H-[1,3]dioxino[5,4-d][1,3]dioxine-4,8-diyl)dimethanol
Database identifiers
- CAS
5334-20-3、6945-65-9- PubChem CID
- 219727
- DTXSID
DTXSID80277258- ChEMBL
CHEMBL1885909- Nikkaji
- J3.182.711F
Properties
Computed structural propertiesFilling in
- XLogP
- -1.7
- Topological polar surface area
- 77.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- solubility
- DMSO, Methanol
- form
- Solid
- color
- White
Chemistry & industry
Applications
Uses2,4:3,5-Di-O-methylene-L-iditol is used in the synthesis of 1,2-O-propylidene-D-xylofuranose 5-O-benzoate 3-(2-methyl-2-pentenoate) as flavoring in cigarettes.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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