Cellobionolactone
Basic information
- CAS
52762-22-8- Standard SMILES
O=C1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O- InChIKey
FSICMNGKCHFHGP-ZNLUKOTNSA-N- Molecular formula
- C12H20O11
- Average molar mass
- 340.28 g/mol
- Monoisotopic mass
- 340.10056145
Overview
Cellobiono-1,5-lactone is a disaccharide consisting of D-glucono-1,5-lactone having a beta-D-glucosyl residue at the 4-position. It is functionally related to a D-glucono-1,5-lactone.
Names & identifiers
- Preferred name
- Cellobionolactone
- IUPAC
- (3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-one
Names & synonyms
CellobionolactoneCellobiono-1,5-lactone52762-22-8Cellobiose-1,5-lactoneCHEBI:17863DTXSID001316284(3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-one(3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyoxan-2-oneRefChem:124299GlyTouCan:G19354UQDTXCID801746144G19354UQ
Show more names
beta-D-glucopyranosyl-(1->4)-D-glucono-1,5-lactone4-O-beta-D-Glucopyranosyl-D-gluconic acid delta-lactoneSCHEMBL28136644CHEBI:136504FSICMNGKCHFHGP-ZNLUKOTNSA-NNSC 196590(3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-oneC01093
Database identifiers
- CAS
52762-22-8- PubChem CID
- 99211
- DTXSID
DTXSID001316284- ChEBI
CHEBI:17863- Nikkaji
- J961.197E
Properties
Computed structural properties
- XLogP
- -4.2
- Topological polar surface area
- 186 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 418
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Related reactions
1 records
Compound notes
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