Basic information
- CAS
95120-27-7- Standard SMILES
C[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO- InChIKey
SKCKOFZKJLZSFA-MOJAZDJTSA-N- Molecular formula
- C6H14O5
- Average molar mass
- 166.17 g/mol
- Monoisotopic mass
- 166.08412355
Names & identifiers
- Preferred name
- 6-Deoxyallitol
- IUPAC
- (2S,3S,4R,5R)-hexane-1,2,3,4,5-pentol
- English name
- 6-deoxyallitol
- Molecular formula
- C6H14O5
- Molecular weight
- 166.17
Names & synonyms
6-Deoxyallitol95120-27-7D-Allitol, 6-deoxy-, (S)-RefChem:104533(2S,3S,4R,5R)-Hexane-1,2,3,4,5-pentaol6-deoxy-D-allitol1-Deoxyhexitol1-deoxy L-allitolDTXSID40915104SKCKOFZKJLZSFA-MOJAZDJTSA-N1-deoxy-L-allitolD-Allitol, 6-deoxy-
Database identifiers
- CAS
95120-27-7- PubChem CID
- 125280
- DTXSID
DTXSID40915104- Nikkaji
- J2.379.312A
Properties
Computed structural properties
- XLogP
- -2
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 107
Physicochemical properties
- Melting point
- 116 · 116-119 °C
- Boiling point
- 468 · 468.0±40.0 °C(Predicted)
- Density
- 1.424 · 1.424±0.06 g/cm3(Predicted)
- pka
- 13.58 · 13.58±0.20(Predicted)
Chemistry & industry
Suppliers1 total
BOC Sciences16314854226 · [email protected]
Related reactions
1 records
Compound notes
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