D-Iditol
Basic information
- CAS
24557-79-7- Standard SMILES
OC[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)CO- InChIKey
FBPFZTCFMRRESA-ZXXMMSQZSA-N- Molecular formula
- C6H14O6
- Average molar mass
- 182.17 g/mol
- Monoisotopic mass
- 182.07903816
Overview
D-iditol is the D-enantiomer of iditol. It has a role as a fungal metabolite. It is an enantiomer of a L-iditol.
Names & identifiers
- Preferred name
- D-Iditol
- IUPAC
- (2R,3S,4S,5R)-hexane-1,2,3,4,5,6-hexol
- English name
- iditol
- Molecular formula
- C6H14O6
- Molecular weight
- 182.17
Names & synonyms
D-Iditol25878-23-3(2R,3S,4S,5R)-hexane-1,2,3,4,5,6-hexolIditol, D-82FOM4R7CDCHEBI:17459DTXSID401336595NSC-227898RefChem:937726GlyTouCan:G39147JVDTXCID901766820G39147JV
Show more names
iditolEinecs 246-314-3
24557-79-7DL-IditolD-IditIditol, DL-MFCD09951922BP8KW73WMG(2R,3S,4S,5R)-hexane-1,2,3,4,5,6-hexaolC6H14O6
Database identifiers
- CAS
24557-79-7、25878-23-3、50-70-4- PubChem CID
- 90540
- DTXSID
DTXSID401336595- ChEBI
CHEBI:17459- UNII
- 82FOM4R7CD、BP8KW73WMG
- Nikkaji
- J92.812G
Properties
Computed structural properties
- XLogP
- -3.1
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 105
Experimental & physicochemical properties
SpringerMaterials PropertiesCrystal structure
Physicochemical properties
- Boiling point
- 494.9 · 494.9±0.0 °C(Predicted)
- Density
- 1.596 · 1.596±0.06 g/cm3(Predicted)
- pka
- 13.14 · 13.14±0.20(Predicted)
- FDA UNII
- 8 KW73WMG · BP8KW73WMG
Chemistry & industry
Additional notes
DefinitionChEBI: D-iditol is the D-enantiomer of iditol. It has a role as a fungal metabolite. It is an enantiomer of a L-iditol.
Related reactions
2 records
Compound notes
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