Basic information
- Standard SMILES
OC[C@H]1O[C@H](OC[C@H]2O[C@H](OC[C@H]3OC(O)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
FBJQEBRMDXPWNX-FYHZSNTMSA-N- Molecular formula
- C18H32O16
- Average molar mass
- 504.4 g/mol
- Monoisotopic mass
- 504.16903493
Names & identifiers
- Preferred name
- GlyTouCan:G33569DD
- IUPAC
- (3R,4S,5S,6R)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
Names & synonyms
RefChem:644973GlyTouCan:G33569DDG33569DDIsomaltosaccharideMFCD00070623(3R,4S,5S,6R)-6-((((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-((((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2,3,4,5-tetraol455-50-5O-?a-?D-?glucopyranosyl-?(1?6)?-?O-?a-?D-?glucopyranosyl-?(1?6)?-D-?Glucose; 6-a-IsomaltosylglucoseGlc(a1-6)Glc(a1-6)GlcSCHEMBL28048299Isomaltotriose, >=98% (TLC)GlcI<<1, 6GlcI<<1, 6Glc
Show more names
Glc| cent1, 6Glc| cent1, 6GlcIsomaltotriose, DP3, analytical standardSY075011I0329C02160N_FULL_30000000000000_GS_3549alpha-D-gluco-hexopyranosyl-(1->6)-alpha-D-gluco-hexopyranosyl-(1->6)-D-gluco-hexopyranose(3R,4S,5S,6R)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2,3,4,5-tetrol
Database identifiers
- PubChem CID
- 439668
- ChEBI
CHEBI:27649- Nikkaji
- J3.317.256G
Properties
Computed structural properties
- XLogP
- -6.9
- 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
Experimental & physicochemical properties
Collision Cross Section
210.83 Ų [M+Na]+ [CCS Type: DT; Method: stepped-field]；202.92 Ų [M-H]- [CCS Type: DT; Method: stepped-field]
212.1 Ų [M+K]+；211.1 Ų [M+Na]+
Related reactions
1 records
Compound notes
Loading…