Nigerotriose
Basic information
- CAS
23393-12-6- Standard SMILES
OC[C@H]1O[C@H](O[C@@H]2[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](CO)OC(O)[C@@H]3O)O[C@H](CO)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
DBTMGCOVALSLOR-VXXRBQRTSA-N- Molecular formula
- C18H32O16
- Average molar mass
- 504.4 g/mol
Overview
Alpha-D-Glcp-(1->3)-alpha-D-Glcp-(1->3)-D-Glcp is a glucotriose consisting of three glucose units connected via alpha-(13) linkages. Also known as nigerotriose.
Names & identifiers
- Preferred name
- Nigerotriose
- IUPAC
- (3R,4S,5R,6R)-4-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,5-triol
- English name
- Glu-alpha1-3Glu-alpha1-3GLU
- Molecular formula
- C18H32O16
- Molecular weight
- 504.44
Names & synonyms
nigerotriosealpha-D-glucopyranosyl-(1->3)-alpha-D-glucopyranosyl-(1->3)-D-glucopyranoseRefChem:643524GlyTouCan:G54604OGG54604OGNigerosaccharidealpha-D-Glcp-(1->3)-alpha-D-Glcp-(1->3)-D-Glcpalpha-D-glucosyl-(1->3)-alpha-D-glucosyl-(1->3)-D-glucoseSCHEMBL29368040CHEBI:62780alpha-D-Glc-(1->3)-alpha-D-Glc-(1->3)-D-GlcQ27132170
Show more names
Glu-alpha1-3Glu-alpha1-3GLUO-alpha-D-Glucopyranosyl-(1-3)-O-alpha-D-glucopyranosyl-(1-3)-D-glucose
Database identifiers
- CAS
23393-12-6- ChEBI
CHEBI:62780- Nikkaji
- J2.249.150D
Properties
Computed structural properties
- XLogP
- -5.8
- Topological polar surface area
- 269 Ų
- Hydrogen bond donors
- 11
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 641
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…