Allosucrose
Basic information
- CAS
4217-76-9- Standard SMILES
OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@@H]1O- InChIKey
CZMRCDWAGMRECN-DCUALPFSSA-N- Molecular formula
- C12H22O11
- Average molar mass
- 342.3 g/mol
- Monoisotopic mass
- 342.11621151
Overview
structure given in first source
Names & identifiers
- Preferred name
- Allosucrose
- IUPAC
- (2R,3R,4R,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
- English name
- allosucrose
- Molecular formula
- C12H22O11
- Molecular weight
- 342.3
Names & synonyms
Allosucrose4217-76-9alpha-D-Allopyranoside, beta-D-fructofuranosylalpha-D-Allopyranosyl beta-D-fructofuranosideDTXSID20859012RefChem:110843GlyTouCan:G34494PVDTXCID701474560G34494PV(2R,3R,4R,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triolbeta-D-fructofuranosyl alpha-D-allopyranosideorb1698545
Show more names
α-D-Allopyranoside, β-D-fructofuranosyl
AKOS040750336alpha-d-allopyranosyl beta-fructofuranosideT29883
Database identifiers
- CAS
4217-76-9- PubChem CID
- 193385
- DTXSID
DTXSID20859012- Nikkaji
- J954.958G
Properties
Computed structural properties
- XLogP
- -3.7
- Topological polar surface area
- 190 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 395
Physicochemical properties
- Boiling point
- 697.1 · 697.1±55.0 °C(Predicted)
- Density
- 1.77 · 1.77±0.1 g/cm3(Predicted)
- pka
- 12.81 · 12.81±0.70(Predicted)
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Related reactions
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Compound notes
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