6''-Carboxyraffinose
Basic information
- CAS
104880-42-4- Standard SMILES
O=C(O)C1OC(OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O- InChIKey
HVEDYOAUBWOTLI-UHFFFAOYSA-N- Molecular formula
- C18H30O17
- Average molar mass
- 518.4 g/mol
- Monoisotopic mass
- 518.14829948
Overview
6-[(6-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid is an oligosaccharide.
Names & identifiers
- Preferred name
- 6''-Carboxyraffinose
- IUPAC
- 6-[[6-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
- English name
- 6''-carboxyraffinose
- Molecular formula
- C18H30O17
- Molecular weight
- 518.42
Names & synonyms
6''-Carboxyraffinose104880-42-4RefChem:103615GlyTouCan:G01949XAG01949XARaffinouronic acid6-[[6-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acidDTXSID10909257CHEBI:168017Fructofuranosyl O-(galactopuranosyluronic acid)-(1-6)-O-glucopyranosideHex-2-ulofuranosyl hexopyranuronosyl-(1->6)hexopyranoside6-[(6-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Show more names
α-D-Glucopyranoside, β-D-fructofuranosyl O-α-D-galactopyranuronosyl-(1→6)- (9CI)β-fructofuranosyl O-(α-D-galactopyranosyl uronic acid)-(1-6)-O-α-D-glucopyranoside
Properties
Computed structural properties
- XLogP
- -5.6
- Topological polar surface area
- 286 Ų
- Hydrogen bond donors
- 11
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 725
Physicochemical properties
- Boiling point
- 935.7 · 935.7±65.0 °C(Predicted)
- Density
- 1.88 · 1.88±0.1 g/cm3(Predicted)
- pka
- 2.82 · 2.82±0.70(Predicted)
Chemistry & industry
Additional notes
DefinitionChEBI: 6-[(6-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid is an oligosaccharide.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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