Isofloridoside
Basic information
- CAS
4649-46-1- Standard SMILES
OCC(O)CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O- InChIKey
NHJUPBDCSOGIKX-KJUJXXMOSA-N- Molecular formula
- C9H18O8
- Average molar mass
- 254.23 g/mol
- Monoisotopic mass
- 254.10016753
Overview
Isofloridoside is a galactosylglycerol that is glycerol in which one of the primary hydroxy groups has been converted into the corresponding alpha-D-galactopyranoside. It is a galactosylglycerol and an alpha-D-galactoside. It is functionally related to a glycerol.
Names & identifiers
- Preferred name
- Isofloridoside
- IUPAC
- (2S,3R,4S,5R,6R)-2-(2,3-dihydroxypropoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
- English name
- isofloridoside
- Molecular formula
- C9H18O8
- Molecular weight
- 254.23
Names & synonyms
Isofloridoside4649-46-13-O-Galactopyranosylglycerol2,3-Dihydroxypropyl alpha-D-galactopyranosideCHEBI:147787RefChem:149338GlyTouCan:G17876LIG17876LI(2S,3R,4S,5R,6R)-2-(2,3-dihydroxypropoxy)-6-(hydroxymethyl)oxane-3,4,5-triolD-Glyceryl beta-galactopyranoside3-O-Galactopyranosyl-sn-glycerolSCHEMBL25305432
Show more names
α-D-Galactopyranoside, 2,3-dihydroxypropyl
(2r)-glyceryl-beta-d-galactopyranosidealpha-d-galactopyranosyl-(1-1)-glycerol2,3-Dihydroxypropyl-a-D-GalactopyranosideWURCS=2.0/2,2,1/[hxh][a2112h-1a_1-5]/1-2/a3-b1(2S,3R,4S,5R,6R)-2-(2,3-Dihydroxypropoxy)-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-3,4,5-Triol
Database identifiers
- CAS
4649-46-1- PubChem CID
- 193395
- ChEBI
CHEBI:147787- Nikkaji
- J1.002.897C
Properties
Computed structural properties
- XLogP
- -3.4
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 225
Physicochemical properties
- Melting point
- 134 · 134-135 °C(Solv: ethanol (64-17-5))
- Boiling point
- 619.2 · 619.2±55.0 °C(Predicted)
- Density
- 1.58 · 1.58±0.1 g/cm3(Predicted)
- pka
- 12.89 · 12.89±0.70(Predicted)
Chemistry & industry
Additional notes
DefinitionChEBI: Isofloridoside is a galactosylglycerol that is glycerol in which one of the primary hydroxy groups has been converted into the corresponding alpha-D-galactopyranoside. It is an alpha-D-galactoside and a galactosylglycerol. It is functionally related to a glycerol.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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