beta-Maltose
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Basic information
- CAS
133-99-3- Standard SMILES
OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
GUBGYTABKSRVRQ-QUYVBRFLSA-N- Molecular formula
- C12H22O11
- Average molar mass
- 342.3 g/mol
- Monoisotopic mass
- 342.11621151
Overview
Beta-maltose is a maltose that has beta-configuration at the reducing end anomeric centre. It has a role as a geroprotector.
Names & identifiers
- Preferred name
- beta-Maltose
- IUPAC
- (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
- English name
- BETA-D-GLUCOPYRANOSYL(1-4)-D-GLUCOPYRANOSE
- Molecular formula
- C12H22O11
- Molecular weight
- 342.3
Names & synonyms
beta-maltose133-99-3beta-D-MaltoseMaltose, beta-Maltose beta-anomerR4B6462NGRDTXSID901318570beta-D-glucopyranose, 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl-(1->4)-beta-D-glucopyranoseRefChem:937605GlyTouCan:G66120GKDTXCID803233
Show more names
β-D-maltoseD-(+)-CellobioseCELLOBIOSE, D-(+)-(RG)CELLOBIOSE, CHEMICALLY SYNTHESIZEDβ-D-Glucopyranosyl(1-4)-D-GlucopyranoseBETA-D-GLUCOPYRANOSYL(1-4)-D-GLUCOPYRANOSEβ-D-Glucopyranose, 4-O-α-D-glucopyranosyl-(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
G66120GKbeta-D-Cellobiose4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoseGlcalpha1-4GlcbetaMaltose (8CI)SUNMALT-S120022-04-0(2R,3R,4R,5S,6R)-6-(Hydroxymethyl)-5-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2,3,4-triol
Properties
Computed structural propertiesFilling in
- XLogP
- -4.7
- Topological polar surface area
- 190 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 382
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Collision Cross Section
175.19 Ų [M+K-2H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
180.1 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
179.19 Ų [M+Na]+ [CCS Type: DT; Method: stepped-field]
181.5 Ų [M+K]+
Physicochemical properties
- Melting point
- 239 °C · 239 °C
- Boiling point
- 667.9 · 667.9±55.0 °C(Predicted)
- Density
- 1.76 · 1.76±0.1 g/cm3(Predicted)
- pka
- 12.02 · 12.02±0.70(Predicted)
- FDA UNII
- 4 B6462NGR · R4B6462NGR
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Additional notes
DefinitionChEBI: Beta-maltose is a maltose that has beta-configuration at the reducing end anomeric centre. It has a role as a geroprotector.
Related reactions
96 records
Compound notes
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